5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide

C9H16N4OS — CID 11470212

IUPAC5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C(C)(C)C)c(N)c1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-9(2,3)13-6(10)5(7(11)14)8(12-13)15-4/h10H2,1-4H3,(H2,11,14)
InChIKeyWIPAZJIAIYYZIF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.04
Rot. Bonds2

About 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide

5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11470212) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11470212
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C(C)(C)C)c(N)c1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-9(2,3)13-6(10)5(7(11)14)8(12-13)15-4/h10H2,1-4H3,(H2,11,14)
InChIKeyWIPAZJIAIYYZIF-UHFFFAOYSA-N
XLogP1.04
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide (CID 11470212) is 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(C(C)(C)C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is WIPAZJIAIYYZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-9(2,3)13-6(10)5(7(11)14)8(12-13)15-4/h10H2,1-4H3,(H2,11,14).
What are the key properties of 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11470212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).