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

C15H20N4OS — CID 66124650

IUPAC4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C15H20N4OS/c1-4-19-14(13(16)10(3)18-19)15(20)17-11-8-6-7-9-12(11)21-5-2/h6-9H,4-5,16H2,1-3H3,(H,17,20)
InChIKeyIIMGLSAYOYMXBG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide (PubChem CID 66124650) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
PubChem CID66124650
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C15H20N4OS/c1-4-19-14(13(16)10(3)18-19)15(20)17-11-8-6-7-9-12(11)21-5-2/h6-9H,4-5,16H2,1-3H3,(H,17,20)
InChIKeyIIMGLSAYOYMXBG-UHFFFAOYSA-N
XLogP3.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide (CID 66124650) is 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide is CCSc1ccccc1NC(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide?
The InChIKey is IIMGLSAYOYMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-19-14(13(16)10(3)18-19)15(20)17-11-8-6-7-9-12(11)21-5-2/h6-9H,4-5,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).