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

C9H13FN2O — CID 105441104

IUPAC(4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCC1(F)CCCc2[nH]nc(CO)c21
InChIInChI=1S/C9H13FN2O/c1-9(10)4-2-3-6-8(9)7(5-13)12-11-6/h13H,2-5H2,1H3,(H,11,12)
InChIKeyCOQRQQKLTFBGGU-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.42
Rot. Bonds1

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

(4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 105441104) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID105441104
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCC1(F)CCCc2[nH]nc(CO)c21
InChIInChI=1S/C9H13FN2O/c1-9(10)4-2-3-6-8(9)7(5-13)12-11-6/h13H,2-5H2,1H3,(H,11,12)
InChIKeyCOQRQQKLTFBGGU-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.42
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
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
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
4,5,6,7-Tetrahydro-5-hydroxy-3-trifluoromethyl-1H-indazole
CID 57368453
(4-Fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanol
CID 105430463
(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 105434428
(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
CID 105434430

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol (CID 105441104) is (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol is CC1(F)CCCc2[nH]nc(CO)c21.
What is the InChIKey of (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is COQRQQKLTFBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(10)4-2-3-6-8(9)7(5-13)12-11-6/h13H,2-5H2,1H3,(H,11,12).
What are the key properties of (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol?
(4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 184.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methyl-1,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 105441104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).