3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide

C15H19N3OS — CID 131920585

IUPAC3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(CC)nn1C
InChIInChI=1S/C15H19N3OS/c1-4-11-10-13(18(3)17-11)15(19)16-12-8-6-7-9-14(12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyUXMYXJRNCBJPDF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds5

About 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide

3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 131920585) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID131920585
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(CC)nn1C
InChIInChI=1S/C15H19N3OS/c1-4-11-10-13(18(3)17-11)15(19)16-12-8-6-7-9-14(12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyUXMYXJRNCBJPDF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66119763
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzenesulfonyl fluoride
CID 116814053
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104686
3-ethyl-N-(4-fluoro-2-iodophenyl)-1-methylpyrazole-5-carboxamide
CID 79765896
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide (CID 131920585) is 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide is CCSc1ccccc1NC(=O)c1cc(CC)nn1C.
What is the InChIKey of 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is UXMYXJRNCBJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-11-10-13(18(3)17-11)15(19)16-12-8-6-7-9-14(12)20-5-2/h6-10H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide?
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131920585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).