6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one

C15H13F3N2O2 — CID 53418826

IUPAC6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C1
InChIInChI=1S/C15H13F3N2O2/c1-9-6-13-12(14(21)7-9)8-19-20(13)10-2-4-11(5-3-10)22-15(16,17)18/h2-5,8-9H,6-7H2,1H3
InChIKeyCXKURIFTPWCFKS-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.54
Rot. Bonds2

About 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one

6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one (PubChem CID 53418826) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
PubChem CID53418826
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C1
InChIInChI=1S/C15H13F3N2O2/c1-9-6-13-12(14(21)7-9)8-19-20(13)10-2-4-11(5-3-10)22-15(16,17)18/h2-5,8-9H,6-7H2,1H3
InChIKeyCXKURIFTPWCFKS-UHFFFAOYSA-N
XLogP3.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
(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
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
CID 66489417
2-(4-tert-butylphenyl)-N-methoxy-6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indol-4-imine
CID 3488381
8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505620
(1S,5R)-1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2190599

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one (CID 53418826) is 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one is CC1CC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C1.
What is the InChIKey of 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one?
The InChIKey is CXKURIFTPWCFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-9-6-13-12(14(21)7-9)8-19-20(13)10-2-4-11(5-3-10)22-15(16,17)18/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one?
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one has a molecular weight of 310.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 53418826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).