2-(1-hydroxypropan-2-yl)-1H-indazol-3-one

C10H12N2O2 — CID 90945721

IUPAC2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
SMILESCC(CO)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C10H12N2O2/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11-12/h2-5,7,11,13H,6H2,1H3
InChIKeyNPXJUJOKVNXSEX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.88
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one

2-(1-hydroxypropan-2-yl)-1H-indazol-3-one (PubChem CID 90945721) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
PubChem CID90945721
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
SMILESCC(CO)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C10H12N2O2/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11-12/h2-5,7,11,13H,6H2,1H3
InChIKeyNPXJUJOKVNXSEX-UHFFFAOYSA-N
XLogP0.88
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(1-hydroxypropan-2-yl)-1H-indazol-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

ethyl 2-(3-oxo-1H-indazol-2-yl)-3-phenylpropanoate
CID 134085790
2-propanoyl-1H-indazol-3-one
CID 14947978
3-(4-methylpentan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 43372394
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 670685
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
(2S,3R)-N,3-dihydroxy-2-[3-oxo-6-(2-phenylethynyl)-1H-indazol-2-yl]butanamide
CID 58412761
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 119042934

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one (CID 90945721) is 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one is CC(CO)n1[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one?
The InChIKey is NPXJUJOKVNXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11-12/h2-5,7,11,13H,6H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one?
2-(1-hydroxypropan-2-yl)-1H-indazol-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-1H-indazol-3-one is sourced from PubChem (CID 90945721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).