N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H23N3O — CID 20950848

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWZVBHPJBNDGBMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 20950848) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID20950848
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWZVBHPJBNDGBMH-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide 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

N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42092226
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831989
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110849125
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 20950848) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is WZVBHPJBNDGBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 20950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).