1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one

C13H14N2O — CID 103131579

IUPAC1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C13H14N2O/c1-3-13(16)11-6-4-10(5-7-11)12-8-9-15(2)14-12/h4-9H,3H2,1-2H3
InChIKeyDGAWSKXWTOYLNV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.68
Rot. Bonds3

About 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one

1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one (PubChem CID 103131579) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one
PubChem CID103131579
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C13H14N2O/c1-3-13(16)11-6-4-10(5-7-11)12-8-9-15(2)14-12/h4-9H,3H2,1-2H3
InChIKeyDGAWSKXWTOYLNV-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one (CID 103131579) is 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one?
The InChIKey is DGAWSKXWTOYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-13(16)11-6-4-10(5-7-11)12-8-9-15(2)14-12/h4-9H,3H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one?
1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 103131579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).