2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide

C21H29N3O — CID 91840617

IUPAC2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCCn1cc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c(C)n1
InChIInChI=1S/C21H29N3O/c1-4-24-15-19(16(2)22-24)14-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,15,18,20H,4,8-9,12-14H2,1-3H3
InChIKeyVKFAHYJQFMRLKH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.14
Rot. Bonds6

About 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide

2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide (PubChem CID 91840617) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
PubChem CID91840617
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCCn1cc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c(C)n1
InChIInChI=1S/C21H29N3O/c1-4-24-15-19(16(2)22-24)14-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,15,18,20H,4,8-9,12-14H2,1-3H3
InChIKeyVKFAHYJQFMRLKH-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-3-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide (CID 91840617) is 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide is CCn1cc(CN(C)C(=O)C(c2ccccc2)C2CCCC2)c(C)n1.
What is the InChIKey of 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
The InChIKey is VKFAHYJQFMRLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-24-15-19(16(2)22-24)14-23(3)21(25)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,15,18,20H,4,8-9,12-14H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide?
2-cyclopentyl-N-[(1-ethyl-3-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-3-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 91840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).