4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide

C23H19N3O2 — CID 27844736

IUPAC4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-28-21-16-26(18-12-6-3-7-13-18)25-22(21)23(27)24-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,24,27)
InChIKeyUWCNOEZCTFQAMA-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

About 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide (PubChem CID 27844736) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
PubChem CID27844736
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-28-21-16-26(18-12-6-3-7-13-18)25-22(21)23(27)24-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,24,27)
InChIKeyUWCNOEZCTFQAMA-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide (CID 27844736) is 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide?
The InChIKey is UWCNOEZCTFQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-21-16-26(18-12-6-3-7-13-18)25-22(21)23(27)24-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,24,27).
What are the key properties of 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 27844736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).