(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone

C15H18N2O — CID 112742471

IUPAC(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c(C)cnn2C)c(C)c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)13(11(3)7-9)15(18)14-12(4)8-16-17(14)5/h6-8H,1-5H3
InChIKeyQTESXGRUBSTHQA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.88
Rot. Bonds2

About (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone

(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 112742471) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID112742471
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c(C)cnn2C)c(C)c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)13(11(3)7-9)15(18)14-12(4)8-16-17(14)5/h6-8H,1-5H3
InChIKeyQTESXGRUBSTHQA-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

(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 115806108
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681934
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642305
azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
CID 169156016
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
CID 112742469
(2S)-2-amino-1-(1,4-dimethylpyrazol-5-yl)-3-methylbutan-1-one
CID 82400233
3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
CID 130527941
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
N-cyclopropyl-N,1,4-trimethylpyrazole-5-carboxamide
CID 169156131
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone (CID 112742471) is (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2c(C)cnn2C)c(C)c1.
What is the InChIKey of (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is QTESXGRUBSTHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-6-10(2)13(11(3)7-9)15(18)14-12(4)8-16-17(14)5/h6-8H,1-5H3.
What are the key properties of (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)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 (1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 112742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).