(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol

C8H11FN2O — CID 105434428

IUPAC(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)CCC2
InChIInChI=1S/C8H11FN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h5,12H,1-4H2,(H,10,11)
InChIKeyMTZCGRCTKXAIGG-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.25
Rot. Bonds1

About (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol

(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol (PubChem CID 105434428) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
PubChem CID105434428
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)CCC2
InChIInChI=1S/C8H11FN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h5,12H,1-4H2,(H,10,11)
InChIKeyMTZCGRCTKXAIGG-UHFFFAOYSA-N
XLogP1.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 124000217
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129949091
(5-Cyclopropyl-4-fluoro-1H-pyrazol-3-YL)methanol
CID 135266854
1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 135304000
3-(Difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol
CID 150649039
(5-fluoro-5-phosphanyl-4,4a,5a,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl)methanol
CID 156530011
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
4,5,6,7-Tetrahydro-5-hydroxy-3-trifluoromethyl-1H-indazole
CID 57368453

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The IUPAC name of (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol (CID 105434428) is (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol is OCc1n[nH]c2c1C(F)CCC2.
What is the InChIKey of (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The InChIKey is MTZCGRCTKXAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h5,12H,1-4H2,(H,10,11).
What are the key properties of (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol has a molecular weight of 170.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol is sourced from PubChem (CID 105434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).