3852-0373 Screening compound: 1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

3852-0373 Screening compound: 1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3852-0373 Screening compound: 1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0373
1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3852-0373

Molecular Formula

C15H17F3N2O2 (C15 H17 F3 N2 O2)

Compound Name

1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CCCC(CC1(C(F)(F)F)O)=NN1C(c1ccc(C)cc1)=O

InChI

InChI=1S/C15H17F3N2O2/c1-3-4-12-9-14(22,15(16,17)18)20(19-12)13(21)11-7-5-10(2)6-8-11/h5-8,22H,3-4,9H2,1-2H3/t14-/m0/s1

InChI Key

YGLKAMGKURMDNF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01832515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.14

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 3852-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0373?
Check Price and Availability of 3852-0373, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3852-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0373
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3852-0373 available by request