4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

C19H19N3O2 — CID 7581178

IUPAC4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)12-20-19(23)18-17(24-2)13-22(21-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyJPMSZLOVZQLHEO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 7581178) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID7581178
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)12-20-19(23)18-17(24-2)13-22(21-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyJPMSZLOVZQLHEO-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
2,3-Dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 16618646
(3S)-3-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71462413
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992538
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (CID 7581178) is 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is JPMSZLOVZQLHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)12-20-19(23)18-17(24-2)13-22(21-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 7581178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).