3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide

C24H29N3O — CID 24563594

IUPAC3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NCCCCc3ccccc3)c2C)cc1
InChIInChI=1S/C24H29N3O/c1-18-12-14-22(15-13-18)17-27-20(3)23(19(2)26-27)24(28)25-16-8-7-11-21-9-5-4-6-10-21/h4-6,9-10,12-15H,7-8,11,16-17H2,1-3H3,(H,25,28)
InChIKeyHUWURQOQDLWZKK-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.61
Rot. Bonds8

About 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide (PubChem CID 24563594) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
PubChem CID24563594
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NCCCCc3ccccc3)c2C)cc1
InChIInChI=1S/C24H29N3O/c1-18-12-14-22(15-13-18)17-27-20(3)23(19(2)26-27)24(28)25-16-8-7-11-21-9-5-4-6-10-21/h4-6,9-10,12-15H,7-8,11,16-17H2,1-3H3,(H,25,28)
InChIKeyHUWURQOQDLWZKK-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.61
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

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9470309
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55964829
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 35599064
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227751

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide (CID 24563594) is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)NCCCCc3ccccc3)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide?
The InChIKey is HUWURQOQDLWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-12-14-22(15-13-18)17-27-20(3)23(19(2)26-27)24(28)25-16-8-7-11-21-9-5-4-6-10-21/h4-6,9-10,12-15H,7-8,11,16-17H2,1-3H3,(H,25,28).
What are the key properties of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide?
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24563594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).