(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol

C13H13FN2O — CID 102407016

IUPAC(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol
SMILESCn1ncc(F)c1C(O)/C=C/c1ccccc1
InChIInChI=1S/C13H13FN2O/c1-16-13(11(14)9-15-16)12(17)8-7-10-5-3-2-4-6-10/h2-9,12,17H,1H3/b8-7+
InChIKeyHBUUOTLCHADADF-BQYQJAHWSA-N
MW232.26 g/mol
LogP2.31
Rot. Bonds3

About (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol

(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol (PubChem CID 102407016) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol
PubChem CID102407016
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol
SMILESCn1ncc(F)c1C(O)/C=C/c1ccccc1
InChIInChI=1S/C13H13FN2O/c1-16-13(11(14)9-15-16)12(17)8-7-10-5-3-2-4-6-10/h2-9,12,17H,1H3/b8-7+
InChIKeyHBUUOTLCHADADF-BQYQJAHWSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol (CID 102407016) is (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol is Cn1ncc(F)c1C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol?
The InChIKey is HBUUOTLCHADADF-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-16-13(11(14)9-15-16)12(17)8-7-10-5-3-2-4-6-10/h2-9,12,17H,1H3/b8-7+.
What are the key properties of (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol?
(E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol has a molecular weight of 232.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluoro-1-methylpyrazol-5-yl)-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 102407016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).