(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

C14H13FN2O — CID 40771985

IUPAC(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H13FN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
InChIKeyOTLRTEIRCPMYHR-SECBINFHSA-N
MW244.27 g/mol
LogP2.78
Rot. Bonds1

About (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 40771985) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID40771985
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H13FN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
InChIKeyOTLRTEIRCPMYHR-SECBINFHSA-N
XLogP2.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634303
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634295
(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387165
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
5-bromo-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 66489611
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
(5S)-1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 67984654

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 40771985) is (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is C[C@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1.
What is the InChIKey of (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is OTLRTEIRCPMYHR-SECBINFHSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 244.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 40771985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).