2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide

C21H29N3O — CID 122131387

IUPAC2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCCn1ncc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c1C
InChIInChI=1S/C21H29N3O/c1-4-24-16(2)19(14-22-24)15-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,14,18,20H,4,8-9,12-13,15H2,1-3H3
InChIKeyJMNPYBQRHXVWTQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.14
Rot. Bonds6

About 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide

2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide (PubChem CID 122131387) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
PubChem CID122131387
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCCn1ncc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c1C
InChIInChI=1S/C21H29N3O/c1-4-24-16(2)19(14-22-24)15-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,14,18,20H,4,8-9,12-13,15H2,1-3H3
InChIKeyJMNPYBQRHXVWTQ-UHFFFAOYSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 91840617
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434
(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53193511
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623533
2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478701
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
CID 122131084
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
CID 125458925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide (CID 122131387) is 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide is CCn1ncc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c1C.
What is the InChIKey of 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The InChIKey is JMNPYBQRHXVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-24-16(2)19(14-22-24)15-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,14,18,20H,4,8-9,12-13,15H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide has a molecular weight of 339.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 122131387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).