6-methyl-1-phenyl-2H-indazol-3-one

C14H12N2O — CID 135011697

IUPAC6-methyl-1-phenyl-2H-indazol-3-one
SMILESCc1ccc2c(=O)[nH]n(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)16(15-14(12)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyFKHANNNAAIQECB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.63
Rot. Bonds1

About 6-methyl-1-phenyl-2H-indazol-3-one

6-methyl-1-phenyl-2H-indazol-3-one (PubChem CID 135011697) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methyl-1-phenyl-2H-indazol-3-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-2H-indazol-3-one
PubChem CID135011697
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name6-methyl-1-phenyl-2H-indazol-3-one
SMILESCc1ccc2c(=O)[nH]n(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)16(15-14(12)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyFKHANNNAAIQECB-UHFFFAOYSA-N
XLogP2.63
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-phenyl-2H-indazol-3-one
CID 16638458
ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54513102
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
CID 11034751
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
2-methyl-9-phenylcarbazole
CID 59552741
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
CID 100921559
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
6-(2-oxoimidazolidin-1-yl)-1-phenyl-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548807
5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
CID 155753444
4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 18342069

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-2H-indazol-3-one?
The IUPAC name of 6-methyl-1-phenyl-2H-indazol-3-one (CID 135011697) is 6-methyl-1-phenyl-2H-indazol-3-one.
What is the SMILES notation for 6-methyl-1-phenyl-2H-indazol-3-one?
The canonical SMILES for 6-methyl-1-phenyl-2H-indazol-3-one is Cc1ccc2c(=O)[nH]n(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-1-phenyl-2H-indazol-3-one?
The InChIKey is FKHANNNAAIQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)16(15-14(12)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17).
What are the key properties of 6-methyl-1-phenyl-2H-indazol-3-one?
6-methyl-1-phenyl-2H-indazol-3-one has a molecular weight of 224.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-2H-indazol-3-one is sourced from PubChem (CID 135011697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).