4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide

C16H21N3O — CID 118526618

IUPAC4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCCCc2ccccc2)c1
InChIInChI=1S/C16H21N3O/c1-14-12-18-19(13-14)16(20)17-11-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,20)
InChIKeyYHGPOJBHMKMDRL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide

4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide (PubChem CID 118526618) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
PubChem CID118526618
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCCCc2ccccc2)c1
InChIInChI=1S/C16H21N3O/c1-14-12-18-19(13-14)16(20)17-11-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,20)
InChIKeyYHGPOJBHMKMDRL-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
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-(5-phenylpentyl)pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide (CID 118526618) is 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide is Cc1cnn(C(=O)NCCCCCc2ccccc2)c1.
What is the InChIKey of 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide?
The InChIKey is YHGPOJBHMKMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-14-12-18-19(13-14)16(20)17-11-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide?
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).