methyl 5-amino-1-{4-[(2-phenylethyl)carbamoyl]phenyl}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-{4-[(2-phenylethyl)carbamoyl]phenyl}-1H-pyrazole-4-carboxylate
methyl 5-amino-1-{4-[(2-phenylethyl)carbamoyl]phenyl}-1H-pyrazole-4-carboxylate
Compound characteristics
Compound ID: | G892-1078 |
Compound Name: | methyl 5-amino-1-{4-[(2-phenylethyl)carbamoyl]phenyl}-1H-pyrazole-4-carboxylate |
Molecular Weight: | 364.4 |
Molecular Formula: | C20 H20 N4 O3 |
Smiles: | COC(c1cnn(c2ccc(cc2)C(NCCc2ccccc2)=O)c1N)=O |
Stereo: | ACHIRAL |
logP: | 2.2041 |
logD: | 2.2041 |
logSw: | -2.8032 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 78.983 |
InChI Key: | XCTHMBAFGOOGQR-UHFFFAOYSA-N |