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

C21H23N3O — CID 55756841

IUPAC5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-17(18-10-6-4-7-11-18)15-22-21(25)20-14-16(2)24(23-20)19-12-8-5-9-13-19/h4-14,17H,3,15H2,1-2H3,(H,22,25)
InChIKeyGMWPTYJNQBIXNB-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.10
Rot. Bonds6

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

5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide (PubChem CID 55756841) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
PubChem CID55756841
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-17(18-10-6-4-7-11-18)15-22-21(25)20-14-16(2)24(23-20)19-12-8-5-9-13-19/h4-14,17H,3,15H2,1-2H3,(H,22,25)
InChIKeyGMWPTYJNQBIXNB-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
CID 55794460
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide (CID 55756841) is 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide is CCC(CNC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide?
The InChIKey is GMWPTYJNQBIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-17(18-10-6-4-7-11-18)15-22-21(25)20-14-16(2)24(23-20)19-12-8-5-9-13-19/h4-14,17H,3,15H2,1-2H3,(H,22,25).
What are the key properties of 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide?
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55756841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).