5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide

C9H14N4O3S — CID 43649051

IUPAC5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N4O3S/c1-13(6-2-3-17(15,16)5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12)
InChIKeyYIWLGJWXWYARMJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.75
Rot. Bonds2

About 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide

5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43649051) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID43649051
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N4O3S/c1-13(6-2-3-17(15,16)5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12)
InChIKeyYIWLGJWXWYARMJ-UHFFFAOYSA-N
XLogP-0.75
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide (CID 43649051) is 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1N)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YIWLGJWXWYARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-13(6-2-3-17(15,16)5-6)9(14)7-4-11-12-8(7)10/h4,6H,2-3,5H2,1H3,(H3,10,11,12).
What are the key properties of 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide?
5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43649051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).