2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one

C17H26N2O — CID 64785748

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
SMILESO=C1CCCCCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H26N2O/c20-17-10-6-1-3-7-14(17)13-15-11-12-19(18-15)16-8-4-2-5-9-16/h11-12,14,16H,1-10,13H2
InChIKeyLVCBICYZDIFLJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.08
Rot. Bonds3

About 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one

2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one (PubChem CID 64785748) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
PubChem CID64785748
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
SMILESO=C1CCCCCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H26N2O/c20-17-10-6-1-3-7-14(17)13-15-11-12-19(18-15)16-8-4-2-5-9-16/h11-12,14,16H,1-10,13H2
InChIKeyLVCBICYZDIFLJE-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-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

4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
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
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
CID 83484270
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one (CID 64785748) is 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one is O=C1CCCCCC1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one?
The InChIKey is LVCBICYZDIFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-10-6-1-3-7-14(17)13-15-11-12-19(18-15)16-8-4-2-5-9-16/h11-12,14,16H,1-10,13H2.
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one?
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one has a molecular weight of 274.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one is sourced from PubChem (CID 64785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).