4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide

C15H19N3O — CID 118526906

IUPAC4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-13-11-17-18(12-13)15(19)16-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,16,19)
InChIKeyCNJTYYSAEAUODO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide

4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide (PubChem CID 118526906) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
PubChem CID118526906
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-13-11-17-18(12-13)15(19)16-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,16,19)
InChIKeyCNJTYYSAEAUODO-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide (CID 118526906) is 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide is Cc1cnn(C(=O)NCCCCc2ccccc2)c1.
What is the InChIKey of 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide?
The InChIKey is CNJTYYSAEAUODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-11-17-18(12-13)15(19)16-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,16,19).
What are the key properties of 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide?
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).