[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

C14H15FN2O — CID 14576216

IUPAC[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14-4-2-1-3-12(14)13(9-18)16-17/h5-8,18H,1-4,9H2
InChIKeyZJFKNXXRDSIMNF-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.38
Rot. Bonds2

About [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (PubChem CID 14576216) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
PubChem CID14576216
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14-4-2-1-3-12(14)13(9-18)16-17/h5-8,18H,1-4,9H2
InChIKeyZJFKNXXRDSIMNF-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3,5,6-Tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol
CID 2274914
1-(4-Fluorophenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-methanol
CID 15230055
(2-methyl-2H-indazol-3-yl)methanol
CID 7537584
[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
CID 766316
1-[1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-propan-1-ol
CID 44319772
1-[1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-ethanol
CID 44319773
Poli 136
CID 211821
[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanol
CID 4962628
(1-Benzylindazol-3-yl)methanol
CID 10657568
[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanol
CID 16640531
(1-methyl-1H-indazol-3-yl)methanol
CID 7164546
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (CID 14576216) is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is OCc1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The InChIKey is ZJFKNXXRDSIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14-4-2-1-3-12(14)13(9-18)16-17/h5-8,18H,1-4,9H2.
What are the key properties of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol has a molecular weight of 246.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is sourced from PubChem (CID 14576216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).