(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one

C13H12N2O — CID 7340088

IUPAC(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1C[C@H](c2ccccc2)Cc2[nH]ncc21
InChIInChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15)/t10-/m1/s1
InChIKeyGEHQJOHVFOXESF-SNVBAGLBSA-N
MW212.25 g/mol
LogP2.32
Rot. Bonds1

About (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one

(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 7340088) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID7340088
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1C[C@H](c2ccccc2)Cc2[nH]ncc21
InChIInChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15)/t10-/m1/s1
InChIKeyGEHQJOHVFOXESF-SNVBAGLBSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 7306559
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742
(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386744
6-methyl-1,5,6,7-tetrahydroindazol-4-one
CID 17027693
(7R)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 30033725
(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 40713699
7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
CID 18317774
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028137
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
2-(dimethylaminomethylidene)-5-phenylcyclohexane-1,3-dione
CID 10890110

Frequently Asked Questions

What is the IUPAC name of (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one (CID 7340088) is (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one is O=C1C[C@H](c2ccccc2)Cc2[nH]ncc21.
What is the InChIKey of (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is GEHQJOHVFOXESF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 212.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 7340088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).