3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C18H17N3O3 — CID 882758

IUPAC3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)17-14(18(19)22)11-21(20-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,22)
InChIKeyMCBNMCOFJIQZFB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.66
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 882758) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID882758
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)17-14(18(19)22)11-21(20-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,22)
InChIKeyMCBNMCOFJIQZFB-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-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 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 882758) is 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MCBNMCOFJIQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)17-14(18(19)22)11-21(20-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).