2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one

C12H14N2O3 — CID 15025752

IUPAC2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one
SMILESCc1c2ccccc(=O)c2nn1CC(O)CO
InChIInChI=1S/C12H14N2O3/c1-8-10-4-2-3-5-11(17)12(10)13-14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3
InChIKeyPJCSWWWWWAUUFJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.06
Rot. Bonds3

About 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one

2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one (PubChem CID 15025752) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one
PubChem CID15025752
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one
SMILESCc1c2ccccc(=O)c2nn1CC(O)CO
InChIInChI=1S/C12H14N2O3/c1-8-10-4-2-3-5-11(17)12(10)13-14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3
InChIKeyPJCSWWWWWAUUFJ-UHFFFAOYSA-N
XLogP0.06
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-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 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one (CID 15025752) is 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one is Cc1c2ccccc(=O)c2nn1CC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one?
The InChIKey is PJCSWWWWWAUUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-10-4-2-3-5-11(17)12(10)13-14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one?
2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one has a molecular weight of 234.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one is sourced from PubChem (CID 15025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).