(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone

C13H14N2O — CID 910374

IUPAC(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C13H14N2O/c1-9-5-4-6-12(7-9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3
InChIKeyJHMXMEFWWLGQOR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.50
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 910374) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone
PubChem CID910374
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C13H14N2O/c1-9-5-4-6-12(7-9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3
InChIKeyJHMXMEFWWLGQOR-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone (CID 910374) is (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2nc(C)cc2C)c1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is JHMXMEFWWLGQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-5-4-6-12(7-9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 910374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).