[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone

C24H28N2O4S — CID 54208470

IUPAC[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
SMILESCCn1ncc(C(=O)c2cc(C)c(S(C)(=O)=O)c(C)c2C)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H28N2O4S/c1-7-26-24(30-14-19-10-8-15(2)9-11-19)21(13-25-26)22(27)20-12-16(3)23(31(6,28)29)18(5)17(20)4/h8-13H,7,14H2,1-6H3
InChIKeyPUFKVZMATLOGDX-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.35
Rot. Bonds7

About [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone

[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone (PubChem CID 54208470) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
PubChem CID54208470
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
SMILESCCn1ncc(C(=O)c2cc(C)c(S(C)(=O)=O)c(C)c2C)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H28N2O4S/c1-7-26-24(30-14-19-10-8-15(2)9-11-19)21(13-25-26)22(27)20-12-16(3)23(31(6,28)29)18(5)17(20)4/h8-13H,7,14H2,1-6H3
InChIKeyPUFKVZMATLOGDX-UHFFFAOYSA-N
XLogP4.35
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The IUPAC name of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone (CID 54208470) is [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The canonical SMILES for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone is CCn1ncc(C(=O)c2cc(C)c(S(C)(=O)=O)c(C)c2C)c1OCc1ccc(C)cc1.
What is the InChIKey of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
The InChIKey is PUFKVZMATLOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-7-26-24(30-14-19-10-8-15(2)9-11-19)21(13-25-26)22(27)20-12-16(3)23(31(6,28)29)18(5)17(20)4/h8-13H,7,14H2,1-6H3.
What are the key properties of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone?
[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone has a molecular weight of 440.57 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 54208470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).