N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C19H25N3O — CID 55761903

IUPACN-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCC2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-15-14-18(21-22(15)17-11-3-2-4-12-17)19(23)20-13-7-10-16-8-5-6-9-16/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,20,23)
InChIKeyCOHYNXLNNKZEDT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.88
Rot. Bonds6

About N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55761903) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55761903
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCC2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-15-14-18(21-22(15)17-11-3-2-4-12-17)19(23)20-13-7-10-16-8-5-6-9-16/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,20,23)
InChIKeyCOHYNXLNNKZEDT-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.88
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-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119573908
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78902413
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55761903) is N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCCC2CCCC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is COHYNXLNNKZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-14-18(21-22(15)17-11-3-2-4-12-17)19(23)20-13-7-10-16-8-5-6-9-16/h2-4,11-12,14,16H,5-10,13H2,1H3,(H,20,23).
What are the key properties of N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55761903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).