N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide

C17H23N3O3S — CID 56793975

IUPACN-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide
SMILESCCS(=O)(=O)CCn1ccc(NC(=O)CCc2cccc(C)c2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-24(22,23)12-11-20-10-9-16(19-20)18-17(21)8-7-15-6-4-5-14(2)13-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,18,19,21)
InChIKeyDKIAJAIMIUIZLH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds8

About N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide

N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide (PubChem CID 56793975) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide
PubChem CID56793975
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide
SMILESCCS(=O)(=O)CCn1ccc(NC(=O)CCc2cccc(C)c2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-24(22,23)12-11-20-10-9-16(19-20)18-17(21)8-7-15-6-4-5-14(2)13-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,18,19,21)
InChIKeyDKIAJAIMIUIZLH-UHFFFAOYSA-N
XLogP2.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide (CID 56793975) is N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide is CCS(=O)(=O)CCn1ccc(NC(=O)CCc2cccc(C)c2)n1.
What is the InChIKey of N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is DKIAJAIMIUIZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-24(22,23)12-11-20-10-9-16(19-20)18-17(21)8-7-15-6-4-5-14(2)13-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,18,19,21).
What are the key properties of N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide?
N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 56793975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).