1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

C27H26ClN3O4 — CID 31446508

IUPAC1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26ClN3O4/c1-33-23-13-19(14-24(34-2)26(23)35-3)15-29-27(32)22-17-31(16-18-7-5-4-6-8-18)30-25(22)20-9-11-21(28)12-10-20/h4-14,17H,15-16H2,1-3H3,(H,29,32)
InChIKeyVGJPTTUECOZTIV-UHFFFAOYSA-N
MW491.98 g/mol
LogP5.21
Rot. Bonds9

About 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 31446508) has the molecular formula C27H26ClN3O4 and a molecular weight of 491.98 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID31446508
Molecular FormulaC27H26ClN3O4
Molecular Weight491.98 g/mol
Exact Mass491.16
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26ClN3O4/c1-33-23-13-19(14-24(34-2)26(23)35-3)15-29-27(32)22-17-31(16-18-7-5-4-6-8-18)30-25(22)20-9-11-21(28)12-10-20/h4-14,17H,15-16H2,1-3H3,(H,29,32)
InChIKeyVGJPTTUECOZTIV-UHFFFAOYSA-N
XLogP5.21
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.98
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]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,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 26820186
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-3-(4-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42034029
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 55382205
3-(2,4-difluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 86948044
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 55637417

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 31446508) is 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is VGJPTTUECOZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4/c1-33-23-13-19(14-24(34-2)26(23)35-3)15-29-27(32)22-17-31(16-18-7-5-4-6-8-18)30-25(22)20-9-11-21(28)12-10-20/h4-14,17H,15-16H2,1-3H3,(H,29,32).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31446508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).