3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide

C20H17ClN4O2 — CID 2474271

IUPAC3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c1-27-18-9-3-2-8-17(18)23-20(26)16-13-25(11-5-10-22)24-19(16)14-6-4-7-15(21)12-14/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26)
InChIKeyFMVMTOZXHCPPAZ-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.38
Rot. Bonds6

About 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide

3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 2474271) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID2474271
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c1-27-18-9-3-2-8-17(18)23-20(26)16-13-25(11-5-10-22)24-19(16)14-6-4-7-15(21)12-14/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26)
InChIKeyFMVMTOZXHCPPAZ-UHFFFAOYSA-N
XLogP4.38
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-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-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529422
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981081
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
CID 162658712
1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235418
1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-4-carboxamide
CID 2473238
N-(4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1217619
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2339155
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 2474158

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 2474271) is 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is FMVMTOZXHCPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-27-18-9-3-2-8-17(18)23-20(26)16-13-25(11-5-10-22)24-19(16)14-6-4-7-15(21)12-14/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26).
What are the key properties of 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-cyanoethyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2474271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).