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

C15H18N2O — CID 113222398

IUPAC(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCc1ccc(C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H18N2O/c1-5-12-6-8-13(9-7-12)15(18)14-10(2)16-17(4)11(14)3/h6-9H,5H2,1-4H3
InChIKeyREYMANYCTHCUER-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.83
Rot. Bonds3

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

(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 113222398) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID113222398
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCc1ccc(C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H18N2O/c1-5-12-6-8-13(9-7-12)15(18)14-10(2)16-17(4)11(14)3/h6-9H,5H2,1-4H3
InChIKeyREYMANYCTHCUER-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 33168964
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 105129518
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281724
(4-ethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43160562
(E)-N-(4-ethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26697174
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 113222398) is (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is CCc1ccc(C(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is REYMANYCTHCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-12-6-8-13(9-7-12)15(18)14-10(2)16-17(4)11(14)3/h6-9H,5H2,1-4H3.
What are the key properties of (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 113222398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).