5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one

C13H20N2O2 — CID 66020895

IUPAC5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1C1CCCCCC1O
InChIInChI=1S/C13H20N2O2/c16-12-5-3-1-2-4-11(12)15-13(17)8-10(14-15)9-6-7-9/h8-9,11-12,14,16H,1-7H2
InChIKeyVHKDRFGCXTUOFL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.92
Rot. Bonds2

About 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one

5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one (PubChem CID 66020895) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one
PubChem CID66020895
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1C1CCCCCC1O
InChIInChI=1S/C13H20N2O2/c16-12-5-3-1-2-4-11(12)15-13(17)8-10(14-15)9-6-7-9/h8-9,11-12,14,16H,1-7H2
InChIKeyVHKDRFGCXTUOFL-UHFFFAOYSA-N
XLogP1.92
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-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 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one (CID 66020895) is 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one is O=c1cc(C2CC2)[nH]n1C1CCCCCC1O.
What is the InChIKey of 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one?
The InChIKey is VHKDRFGCXTUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-5-3-1-2-4-11(12)15-13(17)8-10(14-15)9-6-7-9/h8-9,11-12,14,16H,1-7H2.
What are the key properties of 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one has a molecular weight of 236.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2-hydroxycycloheptyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).