8018-8510 Screening compound: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

8018-8510 Screening compound: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
8018-8510 Screening compound: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8510
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

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

8018-8510

Molecular Formula

C6H5F3N2O2 (C6 H5 F3 N2 O2)

Compound Name

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

SMILES

Cn(c(C(F)(F)F)c1)nc1C(O)=O

InChI

InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13)

InChI Key

QMIUBFUPVMQMRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.618

Distribution Coefficient, logD

-1.881

Water Solubility, LogSw

-0.66

Polar Surface Area

42.163

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8018-8510 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8510?
Check Price and Availability of 8018-8510, 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 8018-8510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8510
  • 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 8018-8510 available by request