N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C24H22N4O2 — CID 40815392

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C24H22N4O2/c1-17(20-12-6-7-13-22(20)30-2)26-24(29)21-16-28(19-10-4-3-5-11-19)27-23(21)18-9-8-14-25-15-18/h3-17H,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyKJSHXCCDRWNFAA-KRWDZBQOSA-N
MW398.47 g/mol
LogP4.43
Rot. Bonds6

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 40815392) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID40815392
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C24H22N4O2/c1-17(20-12-6-7-13-22(20)30-2)26-24(29)21-16-28(19-10-4-3-5-11-19)27-23(21)18-9-8-14-25-15-18/h3-17H,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyKJSHXCCDRWNFAA-KRWDZBQOSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47026926
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2440747
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 25442499

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 40815392) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1ccccc1[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is KJSHXCCDRWNFAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(20-12-6-7-13-22(20)30-2)26-24(29)21-16-28(19-10-4-3-5-11-19)27-23(21)18-9-8-14-25-15-18/h3-17H,1-2H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 40815392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).