4-amino-1-ethylsulfinylpyrazole-3-carboxamide

C6H10N4O2S — CID 131223531

IUPAC4-amino-1-ethylsulfinylpyrazole-3-carboxamide
SMILESCCS(=O)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C6H10N4O2S/c1-2-13(12)10-3-4(7)5(9-10)6(8)11/h3H,2,7H2,1H3,(H2,8,11)
InChIKeyMKODDIFOXBVYGW-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.90
Rot. Bonds3

About 4-amino-1-ethylsulfinylpyrazole-3-carboxamide

4-amino-1-ethylsulfinylpyrazole-3-carboxamide (PubChem CID 131223531) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 4-amino-1-ethylsulfinylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethylsulfinylpyrazole-3-carboxamide
PubChem CID131223531
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name4-amino-1-ethylsulfinylpyrazole-3-carboxamide
SMILESCCS(=O)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C6H10N4O2S/c1-2-13(12)10-3-4(7)5(9-10)6(8)11/h3H,2,7H2,1H3,(H2,8,11)
InChIKeyMKODDIFOXBVYGW-UHFFFAOYSA-N
XLogP-0.90
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylsulfinylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethylsulfinylpyrazole-3-carboxamide (CID 131223531) is 4-amino-1-ethylsulfinylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethylsulfinylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethylsulfinylpyrazole-3-carboxamide is CCS(=O)n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-ethylsulfinylpyrazole-3-carboxamide?
The InChIKey is MKODDIFOXBVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-2-13(12)10-3-4(7)5(9-10)6(8)11/h3H,2,7H2,1H3,(H2,8,11).
What are the key properties of 4-amino-1-ethylsulfinylpyrazole-3-carboxamide?
4-amino-1-ethylsulfinylpyrazole-3-carboxamide has a molecular weight of 202.24 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylsulfinylpyrazole-3-carboxamide is sourced from PubChem (CID 131223531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).