1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone

C12H12N2O — CID 39222026

IUPAC1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cn[nH]c2C)cc1
InChIInChI=1S/C12H12N2O/c1-8-12(7-13-14-8)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyKHQVPOXPKDTMAA-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.59
Rot. Bonds2

About 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone

1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone (PubChem CID 39222026) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
PubChem CID39222026
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cn[nH]c2C)cc1
InChIInChI=1S/C12H12N2O/c1-8-12(7-13-14-8)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyKHQVPOXPKDTMAA-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
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CID 121379891
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
CID 105465962
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 154942037
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
CID 142236647
3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 68567906
[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid
CID 91365212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone (CID 39222026) is 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cn[nH]c2C)cc1.
What is the InChIKey of 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone?
The InChIKey is KHQVPOXPKDTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-12(7-13-14-8)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone?
1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 39222026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).