2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one

C16H21N3O4S — CID 67198279

IUPAC2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one
SMILESCCNc1c(S(C)(=O)=O)ccc(C(=O)c2c[nH]n(CC)c2=O)c1C
InChIInChI=1S/C16H21N3O4S/c1-5-17-14-10(3)11(7-8-13(14)24(4,22)23)15(20)12-9-18-19(6-2)16(12)21/h7-9,17-18H,5-6H2,1-4H3
InChIKeyRZAVILIBPPHGSJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.57
Rot. Bonds6

About 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one

2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one (PubChem CID 67198279) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one
PubChem CID67198279
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one
SMILESCCNc1c(S(C)(=O)=O)ccc(C(=O)c2c[nH]n(CC)c2=O)c1C
InChIInChI=1S/C16H21N3O4S/c1-5-17-14-10(3)11(7-8-13(14)24(4,22)23)15(20)12-9-18-19(6-2)16(12)21/h7-9,17-18H,5-6H2,1-4H3
InChIKeyRZAVILIBPPHGSJ-UHFFFAOYSA-N
XLogP1.57
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one 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

N-[3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-2-methyl-6-methylsulfonylphenyl]-2,2,2-trifluoroacetamide
CID 87677979
2,2,2-trifluoro-N-[2-methyl-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]acetamide
CID 87678603
4-[3-(3-ethoxypropylamino)-2-fluoro-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 145492948
4-[2-fluoro-4-methylsulfonyl-3-(propan-2-ylamino)benzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 145492949
4-[3-[amino(cyclopropylmethyl)amino]-2-fluoro-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 145492951
4-[2-fluoro-3-(3-methoxypropylamino)-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 145492952
4-(3-amino-2-fluoro-4-methylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 145492953
4-[3-(cyclopropylmethylamino)-2-fluoro-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one
CID 145492954
4-[3-[cyclopropylmethyl(methyl)amino]-2-fluoro-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one
CID 145492962
5-cyclopropyl-4-[3-(2-ethoxyethylamino)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one
CID 11524617
4-[3-(2-methoxyethylamino)-2-methyl-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 11614705
4-[3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 18439585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one (CID 67198279) is 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one is CCNc1c(S(C)(=O)=O)ccc(C(=O)c2c[nH]n(CC)c2=O)c1C.
What is the InChIKey of 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one?
The InChIKey is RZAVILIBPPHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-5-17-14-10(3)11(7-8-13(14)24(4,22)23)15(20)12-9-18-19(6-2)16(12)21/h7-9,17-18H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one?
2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one has a molecular weight of 351.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(ethylamino)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one is sourced from PubChem (CID 67198279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).