1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide

C25H22ClN3O3 — CID 43025551

IUPAC1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-20-12-13-23(32-2)22(14-20)27-25(30)21-16-29(15-17-6-4-3-5-7-17)28-24(21)18-8-10-19(26)11-9-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyHGFZYTCWCBPLJU-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.52
Rot. Bonds7

About 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide (PubChem CID 43025551) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
PubChem CID43025551
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-20-12-13-23(32-2)22(14-20)27-25(30)21-16-29(15-17-6-4-3-5-7-17)28-24(21)18-8-10-19(26)11-9-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyHGFZYTCWCBPLJU-UHFFFAOYSA-N
XLogP5.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 112772180
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-3-(4-chlorophenyl)-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide
CID 55780324

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide (CID 43025551) is 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is HGFZYTCWCBPLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-20-12-13-23(32-2)22(14-20)27-25(30)21-16-29(15-17-6-4-3-5-7-17)28-24(21)18-8-10-19(26)11-9-18/h3-14,16H,15H2,1-2H3,(H,27,30).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43025551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).