(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol

C11H17FN2O — CID 105465991

IUPAC(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCC(C)n1nc(CO)c2c1CCCC2F
InChIInChI=1S/C11H17FN2O/c1-7(2)14-10-5-3-4-8(12)11(10)9(6-15)13-14/h7-8,15H,3-6H2,1-2H3
InChIKeyWIMAYRQWCANQAM-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.30
Rot. Bonds2

About (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol

(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 105465991) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID105465991
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCC(C)n1nc(CO)c2c1CCCC2F
InChIInChI=1S/C11H17FN2O/c1-7(2)14-10-5-3-4-8(12)11(10)9(6-15)13-14/h7-8,15H,3-6H2,1-2H3
InChIKeyWIMAYRQWCANQAM-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol (CID 105465991) is (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol is CC(C)n1nc(CO)c2c1CCCC2F.
What is the InChIKey of (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is WIMAYRQWCANQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)14-10-5-3-4-8(12)11(10)9(6-15)13-14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
(4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 212.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 105465991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).