1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol

C14H15FN2O — CID 62488135

IUPAC1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C14H15FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-10,18H,2-3H2,1H3
InChIKeyHEZMQSWGXFDLLW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol

1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol (PubChem CID 62488135) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
PubChem CID62488135
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C14H15FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-10,18H,2-3H2,1H3
InChIKeyHEZMQSWGXFDLLW-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol (CID 62488135) is 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is HEZMQSWGXFDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-10,18H,2-3H2,1H3.
What are the key properties of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol?
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 246.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 62488135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).