(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol

C11H17FN2O — CID 105465990

IUPAC(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2(C)F
InChIInChI=1S/C11H17FN2O/c1-3-14-9-5-4-6-11(2,12)10(9)8(7-15)13-14/h15H,3-7H2,1-2H3
InChIKeyNKBHFHOPGSMXBM-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.92
Rot. Bonds2

About (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol

(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol (PubChem CID 105465990) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol
PubChem CID105465990
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2(C)F
InChIInChI=1S/C11H17FN2O/c1-3-14-9-5-4-6-11(2,12)10(9)8(7-15)13-14/h15H,3-7H2,1-2H3
InChIKeyNKBHFHOPGSMXBM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The IUPAC name of (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol (CID 105465990) is (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The canonical SMILES for (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol is CCn1nc(CO)c2c1CCCC2(C)F.
What is the InChIKey of (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The InChIKey is NKBHFHOPGSMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-14-9-5-4-6-11(2,12)10(9)8(7-15)13-14/h15H,3-7H2,1-2H3.
What are the key properties of (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol?
(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol has a molecular weight of 212.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol is sourced from PubChem (CID 105465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).