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

C6H10N4OS — CID 18734721

IUPAC5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C)c(N)c1C(N)=O
InChIInChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)6(9-10)12-2/h7H2,1-2H3,(H2,8,11)
InChIKeyMRKQONLWSZEGSW-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.18
Rot. Bonds2

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

5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 18734721) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID18734721
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C)c(N)c1C(N)=O
InChIInChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)6(9-10)12-2/h7H2,1-2H3,(H2,8,11)
InChIKeyMRKQONLWSZEGSW-UHFFFAOYSA-N
XLogP-0.18
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide (CID 18734721) is 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is MRKQONLWSZEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)6(9-10)12-2/h7H2,1-2H3,(H2,8,11).
What are the key properties of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 186.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 18734721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).