3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol

C9H12F2N2O — CID 150649039

IUPAC3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol
SMILESCC1(O)CCCc2c1n[nH]c2C(F)F
InChIInChI=1S/C9H12F2N2O/c1-9(14)4-2-3-5-6(8(10)11)12-13-7(5)9/h8,14H,2-4H2,1H3,(H,12,13)
InChIKeyJBMDHDMMEZOILI-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.89
Rot. Bonds1

About 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol

3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol (PubChem CID 150649039) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol
PubChem CID150649039
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol
SMILESCC1(O)CCCc2c1n[nH]c2C(F)F
InChIInChI=1S/C9H12F2N2O/c1-9(14)4-2-3-5-6(8(10)11)12-13-7(5)9/h8,14H,2-4H2,1H3,(H,12,13)
InChIKeyJBMDHDMMEZOILI-UHFFFAOYSA-N
XLogP1.89
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.89
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
4,5,6,7-Tetrahydro-5-hydroxy-3-trifluoromethyl-1H-indazole
CID 57368453
(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 105434428
(4-Fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol
CID 105441104
(4,4-Difluoro-1,5,6,7-tetrahydroindazol-3-yl)methanol
CID 105442968
(5,5-difluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 154878793
2-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165626280
2,2-difluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630779
(1R)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630783
(1S)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165695486

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol (CID 150649039) is 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol is CC1(O)CCCc2c1n[nH]c2C(F)F.
What is the InChIKey of 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol?
The InChIKey is JBMDHDMMEZOILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-9(14)4-2-3-5-6(8(10)11)12-13-7(5)9/h8,14H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol?
3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol has a molecular weight of 202.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol is sourced from PubChem (CID 150649039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).