1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone

C15H18N2O — CID 66010362

IUPAC1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C15H18N2O/c1-10(2)15-14(9-17(4)16-15)13-7-5-12(6-8-13)11(3)18/h5-10H,1-4H3
InChIKeyZCYZYOQHIRPJFM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.41
Rot. Bonds3

About 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone

1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone (PubChem CID 66010362) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
PubChem CID66010362
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C15H18N2O/c1-10(2)15-14(9-17(4)16-15)13-7-5-12(6-8-13)11(3)18/h5-10H,1-4H3
InChIKeyZCYZYOQHIRPJFM-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone (CID 66010362) is 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cn(C)nc2C(C)C)cc1.
What is the InChIKey of 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone?
The InChIKey is ZCYZYOQHIRPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)15-14(9-17(4)16-15)13-7-5-12(6-8-13)11(3)18/h5-10H,1-4H3.
What are the key properties of 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone?
1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 66010362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).