1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone

C14H14N2O — CID 79167207

IUPAC1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O/c1-10(17)12-3-2-4-13(9-12)16-8-7-14(15-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3
InChIKeyZOKROOIQARZSKC-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.95
Rot. Bonds3

About 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone

1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone (PubChem CID 79167207) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone
PubChem CID79167207
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O/c1-10(17)12-3-2-4-13(9-12)16-8-7-14(15-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3
InChIKeyZOKROOIQARZSKC-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone (CID 79167207) is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone is CC(=O)c1cccc(-n2ccc(C3CC3)n2)c1.
What is the InChIKey of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is ZOKROOIQARZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(17)12-3-2-4-13(9-12)16-8-7-14(15-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3.
What are the key properties of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone?
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 79167207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).