1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide

C22H25N3O — CID 42754567

IUPAC1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O/c1-3-4-8-15-23-22(26)21-16-20(18-9-6-5-7-10-18)24-25(21)19-13-11-17(2)12-14-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26)
InChIKeyDNMCYAWOFMCVBM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.77
Rot. Bonds7

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

1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide (PubChem CID 42754567) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
PubChem CID42754567
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O/c1-3-4-8-15-23-22(26)21-16-20(18-9-6-5-7-10-18)24-25(21)19-13-11-17(2)12-14-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26)
InChIKeyDNMCYAWOFMCVBM-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.77
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

3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
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-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 52903062

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide (CID 42754567) is 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide is CCCCCNC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is DNMCYAWOFMCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-4-8-15-23-22(26)21-16-20(18-9-6-5-7-10-18)24-25(21)19-13-11-17(2)12-14-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide?
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42754567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).