1-(4-methylphenyl)-2-pyrazol-1-ylethanone

C12H12N2O — CID 1475623

IUPAC1-(4-methylphenyl)-2-pyrazol-1-ylethanone
SMILESCc1ccc(C(=O)Cn2cccn2)cc1
InChIInChI=1S/C12H12N2O/c1-10-3-5-11(6-4-10)12(15)9-14-8-2-7-13-14/h2-8H,9H2,1H3
InChIKeyRSQDOJRZIJKRQI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyrazol-1-ylethanone

1-(4-methylphenyl)-2-pyrazol-1-ylethanone (PubChem CID 1475623) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrazol-1-ylethanone
PubChem CID1475623
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(4-methylphenyl)-2-pyrazol-1-ylethanone
SMILESCc1ccc(C(=O)Cn2cccn2)cc1
InChIInChI=1S/C12H12N2O/c1-10-3-5-11(6-4-10)12(15)9-14-8-2-7-13-14/h2-8H,9H2,1H3
InChIKeyRSQDOJRZIJKRQI-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-pyrazol-1-ylethanone (CID 1475623) is 1-(4-methylphenyl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrazol-1-ylethanone is Cc1ccc(C(=O)Cn2cccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrazol-1-ylethanone?
The InChIKey is RSQDOJRZIJKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-3-5-11(6-4-10)12(15)9-14-8-2-7-13-14/h2-8H,9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrazol-1-ylethanone?
1-(4-methylphenyl)-2-pyrazol-1-ylethanone has a molecular weight of 200.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 1475623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).