2H-cyclohepta[c]pyrazol-3-one

C8H6N2O — CID 56607437

IUPAC2H-cyclohepta[c]pyrazol-3-one
SMILESO=c1[nH]nc2cccccc1-2
InChIInChI=1S/C8H6N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h1-5H,(H,10,11)
InChIKeyCHZCOJQOCUUJNT-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds

About 2H-cyclohepta[c]pyrazol-3-one

2H-cyclohepta[c]pyrazol-3-one (PubChem CID 56607437) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-cyclohepta[c]pyrazol-3-one.

Molecular Properties

Compound Name2H-cyclohepta[c]pyrazol-3-one
PubChem CID56607437
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-cyclohepta[c]pyrazol-3-one
SMILESO=c1[nH]nc2cccccc1-2
InChIInChI=1S/C8H6N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h1-5H,(H,10,11)
InChIKeyCHZCOJQOCUUJNT-UHFFFAOYSA-N
XLogP0.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2H-cyclohepta[c]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

Related Compounds

2,3-Dihydrocinnolin-3-one
CID 234722
4-methyl-2H-cinnolin-3-one
CID 13614111
(4Z)-3-methyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 59887958
3,5-diethyl-1H-pyridazin-6-one
CID 68096813
2H-cyclopenta[c]pyrazol-3-one
CID 68678244
2,7-Dihydroindazol-3-one
CID 68805202
5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one
CID 90958239
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
CID 143672104
3-methyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 147202243
3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one
CID 155276783
3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one
CID 155276835
5-methylidene-2H-indazol-3-one
CID 72990724

Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[c]pyrazol-3-one?
The IUPAC name of 2H-cyclohepta[c]pyrazol-3-one (CID 56607437) is 2H-cyclohepta[c]pyrazol-3-one.
What is the SMILES notation for 2H-cyclohepta[c]pyrazol-3-one?
The canonical SMILES for 2H-cyclohepta[c]pyrazol-3-one is O=c1[nH]nc2cccccc1-2.
What is the InChIKey of 2H-cyclohepta[c]pyrazol-3-one?
The InChIKey is CHZCOJQOCUUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h1-5H,(H,10,11).
What are the key properties of 2H-cyclohepta[c]pyrazol-3-one?
2H-cyclohepta[c]pyrazol-3-one has a molecular weight of 146.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[c]pyrazol-3-one is sourced from PubChem (CID 56607437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).