1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol

C13H15FN2O — CID 55040958

IUPAC1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)Cc2ccccc2F)cn1
InChIInChI=1S/C13H15FN2O/c1-16-9-10(8-15-16)6-12(17)7-11-4-2-3-5-13(11)14/h2-5,8-9,12,17H,6-7H2,1H3
InChIKeyPEGLKASJDMSFFE-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.71
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol

1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 55040958) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID55040958
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)Cc2ccccc2F)cn1
InChIInChI=1S/C13H15FN2O/c1-16-9-10(8-15-16)6-12(17)7-11-4-2-3-5-13(11)14/h2-5,8-9,12,17H,6-7H2,1H3
InChIKeyPEGLKASJDMSFFE-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol (CID 55040958) is 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(CC(O)Cc2ccccc2F)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is PEGLKASJDMSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-9-10(8-15-16)6-12(17)7-11-4-2-3-5-13(11)14/h2-5,8-9,12,17H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol?
1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 55040958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).