N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide

C18H23N3O — CID 134060993

IUPACN-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCCC1
InChIInChI=1S/C18H23N3O/c1-3-20(15-9-7-8-10-15)18(22)17-13-19-21(14(17)2)16-11-5-4-6-12-16/h4-6,11-13,15H,3,7-10H2,1-2H3
InChIKeyGDECHQMXSKGXND-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.59
Rot. Bonds4

About N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide

N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 134060993) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID134060993
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCCC1
InChIInChI=1S/C18H23N3O/c1-3-20(15-9-7-8-10-15)18(22)17-13-19-21(14(17)2)16-11-5-4-6-12-16/h4-6,11-13,15H,3,7-10H2,1-2H3
InChIKeyGDECHQMXSKGXND-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
1-[4-[[(3R)-1,1-dioxothiolan-3-yl]-ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 125153525
trans-(1S,2R)-2-[[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732361
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
CID 163629755
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
N-(cyanomethyl)-N-cyclopropyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47795680
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide (CID 134060993) is N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide is CCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is GDECHQMXSKGXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-20(15-9-7-8-10-15)18(22)17-13-19-21(14(17)2)16-11-5-4-6-12-16/h4-6,11-13,15H,3,7-10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 134060993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).