4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one

C15H22N2O — CID 83261545

IUPAC4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
SMILESO=C1CCC(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C15H22N2O/c18-15-7-5-12(6-8-15)11-13-9-10-17(16-13)14-3-1-2-4-14/h9-10,12,14H,1-8,11H2
InChIKeyMBRMWBGPCXGYCR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds3

About 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one

4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one (PubChem CID 83261545) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
PubChem CID83261545
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
SMILESO=C1CCC(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C15H22N2O/c18-15-7-5-12(6-8-15)11-13-9-10-17(16-13)14-3-1-2-4-14/h9-10,12,14H,1-8,11H2
InChIKeyMBRMWBGPCXGYCR-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(1-cyclopentylpyrazol-3-yl)methyl]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

Related Compounds

2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
CID 65171984
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779859
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
CID 64779762
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one (CID 83261545) is 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one is O=C1CCC(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one?
The InChIKey is MBRMWBGPCXGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-7-5-12(6-8-15)11-13-9-10-17(16-13)14-3-1-2-4-14/h9-10,12,14H,1-8,11H2.
What are the key properties of 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one?
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 83261545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).