1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone

C13H18N2O — CID 103450602

IUPAC1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C13H18N2O/c1-15-9-8-12(14-15)10-13(16)11-6-4-2-3-5-7-11/h6,8-9H,2-5,7,10H2,1H3
InChIKeyZYFQNVVZINSSHS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone

1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 103450602) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID103450602
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C13H18N2O/c1-15-9-8-12(14-15)10-13(16)11-6-4-2-3-5-7-11/h6,8-9H,2-5,7,10H2,1H3
InChIKeyZYFQNVVZINSSHS-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone 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-(1-butan-2-ylpyrazol-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450477
[(1E)-cycloocten-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 106651894
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone
CID 106655376
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
CID 62080493
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126
1-[4-(2-aminoethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 116577667
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone (CID 103450602) is 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)C2=CCCCCC2)n1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is ZYFQNVVZINSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-9-8-12(14-15)10-13(16)11-6-4-2-3-5-7-11/h6,8-9H,2-5,7,10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 103450602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).