(3,4-dimethylphenyl)-pyrazol-1-ylmethanone

C12H12N2O — CID 4592598

IUPAC(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
SMILESCc1ccc(C(=O)n2cccn2)cc1C
InChIInChI=1S/C12H12N2O/c1-9-4-5-11(8-10(9)2)12(15)14-7-3-6-13-14/h3-8H,1-2H3
InChIKeyWDJYWYXNOYLFKL-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.19
Rot. Bonds1

About (3,4-dimethylphenyl)-pyrazol-1-ylmethanone

(3,4-dimethylphenyl)-pyrazol-1-ylmethanone (PubChem CID 4592598) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
PubChem CID4592598
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
SMILESCc1ccc(C(=O)n2cccn2)cc1C
InChIInChI=1S/C12H12N2O/c1-9-4-5-11(8-10(9)2)12(15)14-7-3-6-13-14/h3-8H,1-2H3
InChIKeyWDJYWYXNOYLFKL-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
CID 5058351
(4-chlorophenyl)-pyrazol-1-ylmethanone
CID 4289053
(2-methylphenyl)-pyrazol-1-ylmethanone
CID 685230
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
CID 17373725
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
CID 3508753
5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735025
benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
CID 741948
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 83703819

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (3,4-dimethylphenyl)-pyrazol-1-ylmethanone (CID 4592598) is (3,4-dimethylphenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3,4-dimethylphenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3,4-dimethylphenyl)-pyrazol-1-ylmethanone is Cc1ccc(C(=O)n2cccn2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-pyrazol-1-ylmethanone?
The InChIKey is WDJYWYXNOYLFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-5-11(8-10(9)2)12(15)14-7-3-6-13-14/h3-8H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-pyrazol-1-ylmethanone?
(3,4-dimethylphenyl)-pyrazol-1-ylmethanone has a molecular weight of 200.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 4592598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).