3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H22N4O — CID 20892672

IUPAC3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C23H22N4O/c1-17-10-12-19(13-11-17)16-24-22(28)21-18(2)25-27(20-8-4-3-5-9-20)23(21)26-14-6-7-15-26/h3-15H,16H2,1-2H3,(H,24,28)
InChIKeyJZODGXDWJREOCO-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.21
Rot. Bonds5

About 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20892672) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20892672
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C23H22N4O/c1-17-10-12-19(13-11-17)16-24-22(28)21-18(2)25-27(20-8-4-3-5-9-20)23(21)26-14-6-7-15-26/h3-15H,16H2,1-2H3,(H,24,28)
InChIKeyJZODGXDWJREOCO-UHFFFAOYSA-N
XLogP4.21
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 20892701
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936645
2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55493349
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915222
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915535
N-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915182
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20892672) is 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is JZODGXDWJREOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-10-12-19(13-11-17)16-24-22(28)21-18(2)25-27(20-8-4-3-5-9-20)23(21)26-14-6-7-15-26/h3-15H,16H2,1-2H3,(H,24,28).
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20892672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).