(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one

C13H11ClN2O — CID 41386742

IUPAC(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1C[C@H](c2cccc(Cl)c2)Cc2[nH]ncc21
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-8(4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyVPYIKCALJPSVPO-SECBINFHSA-N
MW246.70 g/mol
LogP2.98
Rot. Bonds1

About (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one

(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 41386742) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
PubChem CID41386742
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1C[C@H](c2cccc(Cl)c2)Cc2[nH]ncc21
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-8(4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyVPYIKCALJPSVPO-SECBINFHSA-N
XLogP2.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.98
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
(6R)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 7306559
(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386744
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
4-(3-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 78012737
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-5-(3-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 136800590

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one (CID 41386742) is (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one is O=C1C[C@H](c2cccc(Cl)c2)Cc2[nH]ncc21.
What is the InChIKey of (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is VPYIKCALJPSVPO-SECBINFHSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-3-1-2-8(4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9H,5-6H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one?
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 246.70 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 41386742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).