N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C20H21N3O2 — CID 9116260

IUPACN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-19(15(2)23(22-14)17-9-5-4-6-10-17)20(24)21-13-16-8-7-11-18(12-16)25-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyZXJBGSBADZSVJP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 9116260) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID9116260
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-19(15(2)23(22-14)17-9-5-4-6-10-17)20(24)21-13-16-8-7-11-18(12-16)25-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyZXJBGSBADZSVJP-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 9116260) is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is COc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZXJBGSBADZSVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-19(15(2)23(22-14)17-9-5-4-6-10-17)20(24)21-13-16-8-7-11-18(12-16)25-3/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9116260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).