5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide

C9H16N4OS — CID 112663204

IUPAC5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
SMILESCSCCN(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4OS/c1-12(4-5-15-3)9(14)7-6-11-13(2)8(7)10/h6H,4-5,10H2,1-3H3
InChIKeyRGKCGNQXHSBWLQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds4

About 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide

5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide (PubChem CID 112663204) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
PubChem CID112663204
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
SMILESCSCCN(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4OS/c1-12(4-5-15-3)9(14)7-6-11-13(2)8(7)10/h6H,4-5,10H2,1-3H3
InChIKeyRGKCGNQXHSBWLQ-UHFFFAOYSA-N
XLogP0.44
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide (CID 112663204) is 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide is CSCCN(C)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide?
The InChIKey is RGKCGNQXHSBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-12(4-5-15-3)9(14)7-6-11-13(2)8(7)10/h6H,4-5,10H2,1-3H3.
What are the key properties of 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide?
5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).