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

C14H13FN2O — CID 62488982

IUPAC1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C14H13FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyWLBWZZKGOBWRDT-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.09
Rot. Bonds3

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

1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone (PubChem CID 62488982) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone
PubChem CID62488982
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C14H13FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyWLBWZZKGOBWRDT-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
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]ethanone?
The IUPAC name of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone (CID 62488982) is 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone?
The InChIKey is WLBWZZKGOBWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9(18)12-8-11(15)4-5-14(12)17-7-6-13(16-17)10-2-3-10/h4-8,10H,2-3H2,1H3.
What are the key properties of 1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone?
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone has a molecular weight of 244.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 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]ethanone is sourced from PubChem (CID 62488982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).