cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone

C13H18N2O — CID 106656109

IUPACcyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)C1=CCCCC1
InChIInChI=1S/C13H18N2O/c1-3-15-12(9-10(2)14-15)13(16)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3
InChIKeyTVAWCMUKNSHSKR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.89
Rot. Bonds3

About cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone

cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 106656109) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID106656109
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)C1=CCCCC1
InChIInChI=1S/C13H18N2O/c1-3-15-12(9-10(2)14-15)13(16)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3
InChIKeyTVAWCMUKNSHSKR-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone 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

cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 106655994
1-(cyclohexen-1-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-one
CID 116659833
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
2-ethyl-N-(2-hydroxycyclohexyl)-N,5-dimethylpyrazole-3-carboxamide
CID 102634205
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbut-2-en-1-one
CID 105112858
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
CID 105079847
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106657140
(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105135353
[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106656773

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 106656109) is cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is TVAWCMUKNSHSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-12(9-10(2)14-15)13(16)11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone?
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 106656109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).