(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol

C8H10F2N2O — CID 105442968

IUPAC(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)(F)CCC2
InChIInChI=1S/C8H10F2N2O/c9-8(10)3-1-2-5-7(8)6(4-13)12-11-5/h13H,1-4H2,(H,11,12)
InChIKeyBRAADPJDTROWLO-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.33
Rot. Bonds1

About (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol

(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 105442968) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID105442968
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)(F)CCC2
InChIInChI=1S/C8H10F2N2O/c9-8(10)3-1-2-5-7(8)6(4-13)12-11-5/h13H,1-4H2,(H,11,12)
InChIKeyBRAADPJDTROWLO-UHFFFAOYSA-N
XLogP1.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
4-Hydroxybutyl-3,5-bis-(tetrafluoroethyl)pyrazole
CID 129877153
(5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213173
(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213174
(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213175
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

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol (CID 105442968) is (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol is OCc1n[nH]c2c1C(F)(F)CCC2.
What is the InChIKey of (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is BRAADPJDTROWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)3-1-2-5-7(8)6(4-13)12-11-5/h13H,1-4H2,(H,11,12).
What are the key properties of (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol?
(4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 188.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 105442968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).