4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one

C19H21N3O4S — CID 140929110

IUPAC4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O4S/c1-4-26-17-10-18(23)21(2)13-16(17)15-11-20-22(12-15)19(27(3,24)25)14-8-6-5-7-9-14/h5-13,19H,4H2,1-3H3
InChIKeyDSAHIGYPVUIQEG-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.24
Rot. Bonds6

About 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 140929110) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one
PubChem CID140929110
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O4S/c1-4-26-17-10-18(23)21(2)13-16(17)15-11-20-22(12-15)19(27(3,24)25)14-8-6-5-7-9-14/h5-13,19H,4H2,1-3H3
InChIKeyDSAHIGYPVUIQEG-UHFFFAOYSA-N
XLogP2.24
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one 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 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one (CID 140929110) is 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(C(c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is DSAHIGYPVUIQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-26-17-10-18(23)21(2)13-16(17)15-11-20-22(12-15)19(27(3,24)25)14-8-6-5-7-9-14/h5-13,19H,4H2,1-3H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 387.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 140929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).