3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C20H20ClN3O3 — CID 155753625

IUPAC3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)nn2C)c(OC)c1
InChIInChI=1S/C20H20ClN3O3/c1-24-18(11-15(23-24)10-13-4-6-14(21)7-5-13)20(25)22-17-9-8-16(26-2)12-19(17)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyKSRJGJIAUJRWRV-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.93
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 155753625) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID155753625
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)nn2C)c(OC)c1
InChIInChI=1S/C20H20ClN3O3/c1-24-18(11-15(23-24)10-13-4-6-14(21)7-5-13)20(25)22-17-9-8-16(26-2)12-19(17)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyKSRJGJIAUJRWRV-UHFFFAOYSA-N
XLogP3.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 155753625) is 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)nn2C)c(OC)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is KSRJGJIAUJRWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-24-18(11-15(23-24)10-13-4-6-14(21)7-5-13)20(25)22-17-9-8-16(26-2)12-19(17)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 155753625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).