(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C15H18N2O — CID 113222403

IUPAC(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C15H18N2O/c1-9-6-7-13(8-10(9)2)15(18)14-11(3)16-17(5)12(14)4/h6-8H,1-5H3
InChIKeyNXZMWAUDECCJMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.88
Rot. Bonds2

About (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 113222403) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID113222403
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C15H18N2O/c1-9-6-7-13(8-10(9)2)15(18)14-11(3)16-17(5)12(14)4/h6-8H,1-5H3
InChIKeyNXZMWAUDECCJMN-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
2-(5-fluoro-2-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105376837
(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
CID 107976703
(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63639101
(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63327037
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
CID 24672088

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 113222403) is (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1ccc(C(=O)c2c(C)nn(C)c2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is NXZMWAUDECCJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-6-7-13(8-10(9)2)15(18)14-11(3)16-17(5)12(14)4/h6-8H,1-5H3.
What are the key properties of (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 113222403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).