(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one

C14H14N2O — CID 41386744

IUPAC(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccccc1[C@H]1CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C14H14N2O/c1-9-4-2-3-5-11(9)10-6-13-12(8-15-16-13)14(17)7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWTNMYJZHMMPJMG-SNVBAGLBSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds1

About (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one

(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 41386744) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
PubChem CID41386744
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccccc1[C@H]1CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C14H14N2O/c1-9-4-2-3-5-11(9)10-6-13-12(8-15-16-13)14(17)7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWTNMYJZHMMPJMG-SNVBAGLBSA-N
XLogP2.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
CID 7340088
6-methyl-1,5,6,7-tetrahydroindazol-4-one
CID 17027693
(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 40713699
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506038
(9S)-3-amino-9-(2-methylphenyl)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135895004
(8R)-8-(2-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41178199
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629651
(8S)-2-methyl-8-(2-methylphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769132
3,4-dihydrobenzo[e]indazol-5-one
CID 124928171

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one (CID 41386744) is (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one is Cc1ccccc1[C@H]1CC(=O)c2cn[nH]c2C1.
What is the InChIKey of (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is WTNMYJZHMMPJMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-4-2-3-5-11(9)10-6-13-12(8-15-16-13)14(17)7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one?
(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 226.28 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 (6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 41386744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).