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

C9H13FN2O — CID 105441103

IUPAC(4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCCC2F
InChIInChI=1S/C9H13FN2O/c1-12-8-4-2-3-6(10)9(8)7(5-13)11-12/h6,13H,2-5H2,1H3
InChIKeyVCAWDRHVZXVLMA-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.26
Rot. Bonds1

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

(4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 105441103) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID105441103
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCCC2F
InChIInChI=1S/C9H13FN2O/c1-12-8-4-2-3-6(10)9(8)7(5-13)11-12/h6,13H,2-5H2,1H3
InChIKeyVCAWDRHVZXVLMA-UHFFFAOYSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol (CID 105441103) is (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol is Cn1nc(CO)c2c1CCCC2F.
What is the InChIKey of (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is VCAWDRHVZXVLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12-8-4-2-3-6(10)9(8)7(5-13)11-12/h6,13H,2-5H2,1H3.
What are the key properties of (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
(4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 184.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 105441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).