3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C24H24N4O — CID 20915134

IUPAC3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C24H24N4O/c1-17-11-13-21(14-12-17)28-24(27-15-7-8-16-27)22(19(3)26-28)23(29)25-18(2)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,25,29)
InChIKeyOLZUMJXAGFBHPS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.77
Rot. Bonds5

About 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915134) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915134
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C24H24N4O/c1-17-11-13-21(14-12-17)28-24(27-15-7-8-16-27)22(19(3)26-28)23(29)25-18(2)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,25,29)
InChIKeyOLZUMJXAGFBHPS-UHFFFAOYSA-N
XLogP4.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915222
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915153
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-(3,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915121
N-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915182
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 7335407
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915134) is 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccccc3)c2-n2cccc2)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is OLZUMJXAGFBHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-11-13-21(14-12-17)28-24(27-15-7-8-16-27)22(19(3)26-28)23(29)25-18(2)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,25,29).
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).