1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol

C19H18F2N2O — CID 163233595

IUPAC1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
SMILESOc1c(F)cc2cnn(-c3ccc(C4CCCCC4)cc3)c2c1F
InChIInChI=1S/C19H18F2N2O/c20-16-10-14-11-22-23(18(14)17(21)19(16)24)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12,24H,1-5H2
InChIKeyQSECVDYWEMLBCT-UHFFFAOYSA-N
MW328.36 g/mol
LogP5.06
Rot. Bonds2

About 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol

1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol (PubChem CID 163233595) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
PubChem CID163233595
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
SMILESOc1c(F)cc2cnn(-c3ccc(C4CCCCC4)cc3)c2c1F
InChIInChI=1S/C19H18F2N2O/c20-16-10-14-11-22-23(18(14)17(21)19(16)24)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12,24H,1-5H2
InChIKeyQSECVDYWEMLBCT-UHFFFAOYSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
CID 171048601
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
4-cyclooctyl-2,6-difluorophenol
CID 151133055
4-cyclododecyl-2-fluorophenol
CID 146306960
2-(4-cyclopropylphenyl)phthalazin-1-one
CID 155730870
4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol
CID 163233363
1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
CID 163234431
1-(4-cyclohexylphenyl)-4,5-dihydroimidazol-2-amine
CID 152741258
[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
CID 163233630
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
CID 151614521

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol?
The IUPAC name of 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol (CID 163233595) is 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol?
The canonical SMILES for 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol is Oc1c(F)cc2cnn(-c3ccc(C4CCCCC4)cc3)c2c1F.
What is the InChIKey of 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol?
The InChIKey is QSECVDYWEMLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-16-10-14-11-22-23(18(14)17(21)19(16)24)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12,24H,1-5H2.
What are the key properties of 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol?
1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol has a molecular weight of 328.36 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol is sourced from PubChem (CID 163233595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).