cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone

C14H20N2O — CID 106655994

IUPACcyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2=CCCCCC2)n(C)n1
InChIInChI=1S/C14H20N2O/c1-3-12-10-13(16(2)15-12)14(17)11-8-6-4-5-7-9-11/h8,10H,3-7,9H2,1-2H3
InChIKeyTZESWTIQOGTQCD-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.06
Rot. Bonds3

About cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone

cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 106655994) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID106655994
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Namecyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2=CCCCCC2)n(C)n1
InChIInChI=1S/C14H20N2O/c1-3-12-10-13(16(2)15-12)14(17)11-8-6-4-5-7-9-11/h8,10H,3-7,9H2,1-2H3
InChIKeyTZESWTIQOGTQCD-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-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

3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 102648712
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085414
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
[(1E)-cycloocten-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 106651894
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 106655994) is cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)C2=CCCCCC2)n(C)n1.
What is the InChIKey of cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is TZESWTIQOGTQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-10-13(16(2)15-12)14(17)11-8-6-4-5-7-9-11/h8,10H,3-7,9H2,1-2H3.
What are the key properties of cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 106655994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).