5-propan-2-yl-1,2-dihydroindazol-3-one

C10H12N2O — CID 59191718

IUPAC5-propan-2-yl-1,2-dihydroindazol-3-one
SMILESCC(C)c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C10H12N2O/c1-6(2)7-3-4-9-8(5-7)10(13)12-11-9/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyJHKPXEOXGORMSV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds1

About 5-propan-2-yl-1,2-dihydroindazol-3-one

5-propan-2-yl-1,2-dihydroindazol-3-one (PubChem CID 59191718) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-propan-2-yl-1,2-dihydroindazol-3-one
PubChem CID59191718
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-propan-2-yl-1,2-dihydroindazol-3-one
SMILESCC(C)c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C10H12N2O/c1-6(2)7-3-4-9-8(5-7)10(13)12-11-9/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyJHKPXEOXGORMSV-UHFFFAOYSA-N
XLogP1.98
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indazolinone
CID 81829
1-methyl-2,3-dihydro-1H-indazol-3-one
CID 350589
Benzoic acid, 2-amino-, hydrazide
CID 94728
2-methyl-1H-indazol-3(2H)-one
CID 590513
6-fluoro-1H-indazol-3-ol
CID 24728218
2-butyl-1,2-dihydro-3H-indazol-3-one
CID 163570
2-(Propan-2-yl)-2,3-dihydro-1H-indazol-3-one
CID 51361321
1H-Indazolin-3-one, 6-amino-, dihydrochloride
CID 198337
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
4-Phenyl-1,2-dihydroindazol-3-one
CID 49830958
2-Amino-5-methylbenzamide
CID 10329436

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-dihydroindazol-3-one?
The IUPAC name of 5-propan-2-yl-1,2-dihydroindazol-3-one (CID 59191718) is 5-propan-2-yl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-propan-2-yl-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-propan-2-yl-1,2-dihydroindazol-3-one is CC(C)c1ccc2[nH][nH]c(=O)c2c1.
What is the InChIKey of 5-propan-2-yl-1,2-dihydroindazol-3-one?
The InChIKey is JHKPXEOXGORMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)7-3-4-9-8(5-7)10(13)12-11-9/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 5-propan-2-yl-1,2-dihydroindazol-3-one?
5-propan-2-yl-1,2-dihydroindazol-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 59191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).