3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide

C23H27N3O — CID 4274555

IUPAC3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-4-5-9-14-24-23(27)22-16-21(19-13-12-17(2)18(3)15-19)25-26(22)20-10-7-6-8-11-20/h6-8,10-13,15-16H,4-5,9,14H2,1-3H3,(H,24,27)
InChIKeyFJBDNHMBTKACSA-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.08
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide (PubChem CID 4274555) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
PubChem CID4274555
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-4-5-9-14-24-23(27)22-16-21(19-13-12-17(2)18(3)15-19)25-26(22)20-10-7-6-8-11-20/h6-8,10-13,15-16H,4-5,9,14H2,1-3H3,(H,24,27)
InChIKeyFJBDNHMBTKACSA-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 4301084
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide (CID 4274555) is 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide is CCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is FJBDNHMBTKACSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-5-9-14-24-23(27)22-16-21(19-13-12-17(2)18(3)15-19)25-26(22)20-10-7-6-8-11-20/h6-8,10-13,15-16H,4-5,9,14H2,1-3H3,(H,24,27).
What are the key properties of 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4274555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).