5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide

C22H25N3O — CID 46549741

IUPAC5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
SMILESCCC(CNC(=O)c1cnn(-c2cccc(C)c2)c1C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-4-18(19-10-6-5-7-11-19)14-23-22(26)21-15-24-25(17(21)3)20-12-8-9-16(2)13-20/h5-13,15,18H,4,14H2,1-3H3,(H,23,26)
InChIKeyLTWOODCNKUUXTO-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.41
Rot. Bonds6

About 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide (PubChem CID 46549741) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
PubChem CID46549741
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
SMILESCCC(CNC(=O)c1cnn(-c2cccc(C)c2)c1C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-4-18(19-10-6-5-7-11-19)14-23-22(26)21-15-24-25(17(21)3)20-12-8-9-16(2)13-20/h5-13,15,18H,4,14H2,1-3H3,(H,23,26)
InChIKeyLTWOODCNKUUXTO-UHFFFAOYSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 42945536
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30767452
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 47079383
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46549850
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide (CID 46549741) is 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide is CCC(CNC(=O)c1cnn(-c2cccc(C)c2)c1C)c1ccccc1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide?
The InChIKey is LTWOODCNKUUXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-18(19-10-6-5-7-11-19)14-23-22(26)21-15-24-25(17(21)3)20-12-8-9-16(2)13-20/h5-13,15,18H,4,14H2,1-3H3,(H,23,26).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).