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

C9H16N4OS — CID 11287631

IUPAC5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCCCCn1nc(SC)c(C(N)=O)c1N
InChIInChI=1S/C9H16N4OS/c1-3-4-5-13-7(10)6(8(11)14)9(12-13)15-2/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyUAUXEJBHOJWXAN-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.09
Rot. Bonds5

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

5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11287631) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11287631
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCCCCn1nc(SC)c(C(N)=O)c1N
InChIInChI=1S/C9H16N4OS/c1-3-4-5-13-7(10)6(8(11)14)9(12-13)15-2/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyUAUXEJBHOJWXAN-UHFFFAOYSA-N
XLogP1.09
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide (CID 11287631) is 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide is CCCCn1nc(SC)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is UAUXEJBHOJWXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-4-5-13-7(10)6(8(11)14)9(12-13)15-2/h3-5,10H2,1-2H3,(H2,11,14).
What are the key properties of 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11287631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).