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

C10H15FN2O — CID 105451482

IUPAC(1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2F
InChIInChI=1S/C10H15FN2O/c1-2-13-9-5-3-4-7(11)10(9)8(6-14)12-13/h7,14H,2-6H2,1H3
InChIKeyPGYXSVVQRIMVJO-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.74
Rot. Bonds2

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

(1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 105451482) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID105451482
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2F
InChIInChI=1S/C10H15FN2O/c1-2-13-9-5-3-4-7(11)10(9)8(6-14)12-13/h7,14H,2-6H2,1H3
InChIKeyPGYXSVVQRIMVJO-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.74
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-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol (CID 105451482) is (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol is CCn1nc(CO)c2c1CCCC2F.
What is the InChIKey of (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is PGYXSVVQRIMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-2-13-9-5-3-4-7(11)10(9)8(6-14)12-13/h7,14H,2-6H2,1H3.
What are the key properties of (1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol?
(1-ethyl-4-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 198.24 g/mol, XLogP of 1.74, 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-4,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 105451482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).