N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide

C15H19N3OS — CID 45284668

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cc(C)nn2CC)cc1
InChIInChI=1S/C15H19N3OS/c1-4-18-14(10-11(3)17-18)16-15(19)12-6-8-13(9-7-12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyFSEHHBXYYFNVEZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.58
Rot. Bonds5

About N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide

N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide (PubChem CID 45284668) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
PubChem CID45284668
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cc(C)nn2CC)cc1
InChIInChI=1S/C15H19N3OS/c1-4-18-14(10-11(3)17-18)16-15(19)12-6-8-13(9-7-12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyFSEHHBXYYFNVEZ-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 41044404
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide (CID 45284668) is N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2cc(C)nn2CC)cc1.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide?
The InChIKey is FSEHHBXYYFNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-18-14(10-11(3)17-18)16-15(19)12-6-8-13(9-7-12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide?
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 45284668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).