4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one

C10H13FN2O — CID 169321202

IUPAC4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one
SMILESCn1nc(C2CCC(=O)CC2)cc1F
InChIInChI=1S/C10H13FN2O/c1-13-10(11)6-9(12-13)7-2-4-8(14)5-3-7/h6-7H,2-5H2,1H3
InChIKeyBZJLEOJAXYBATH-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.79
Rot. Bonds1

About 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one

4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one (PubChem CID 169321202) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one
PubChem CID169321202
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one
SMILESCn1nc(C2CCC(=O)CC2)cc1F
InChIInChI=1S/C10H13FN2O/c1-13-10(11)6-9(12-13)7-2-4-8(14)5-3-7/h6-7H,2-5H2,1H3
InChIKeyBZJLEOJAXYBATH-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one 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 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one?
The IUPAC name of 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one (CID 169321202) is 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one is Cn1nc(C2CCC(=O)CC2)cc1F.
What is the InChIKey of 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one?
The InChIKey is BZJLEOJAXYBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-10(11)6-9(12-13)7-2-4-8(14)5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one?
4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one has a molecular weight of 196.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 169321202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).