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

C20H17ClN4O2 — CID 2534960

IUPACN-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN4O2/c1-27-15-7-4-6-14(12-15)19-16(13-25(24-19)11-5-10-22)20(26)23-18-9-3-2-8-17(18)21/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26)
InChIKeyPSTJEAQXHBWCBZ-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.38
Rot. Bonds6

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

N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 2534960) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID2534960
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN4O2/c1-27-15-7-4-6-14(12-15)19-16(13-25(24-19)11-5-10-22)20(26)23-18-9-3-2-8-17(18)21/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26)
InChIKeyPSTJEAQXHBWCBZ-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

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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
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-hydroxyethoxy)phenyl]-3-methoxybenzamide
CID 57786629
1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2489963
N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529422
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 25161924
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
N-[3-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]benzamide
CID 71739573
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707728
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (CID 2534960) is N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is COc1cccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is PSTJEAQXHBWCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-27-15-7-4-6-14(12-15)19-16(13-25(24-19)11-5-10-22)20(26)23-18-9-3-2-8-17(18)21/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-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 N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2534960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).