5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide

C14H16ClN3O — CID 68674787

IUPAC5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCc2ccccc2)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-18-13(15)12(10-17-18)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)
InChIKeyBURYKUFQZYKZNI-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.44
Rot. Bonds5

About 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide

5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide (PubChem CID 68674787) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
PubChem CID68674787
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCc2ccccc2)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-18-13(15)12(10-17-18)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)
InChIKeyBURYKUFQZYKZNI-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.44
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-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159
1-methyl-5-oxo-N-(3-phenylpropyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849803
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
5-chloro-1-(3-phenylpropyl)pyrazole-4-carboxylic acid
CID 113373689
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91408257
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide (CID 68674787) is 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The InChIKey is BURYKUFQZYKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-13(15)12(10-17-18)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19).
What are the key properties of 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide?
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 68674787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).