5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide

C9H12N4O3S — CID 115330965

IUPAC5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C=CS(=O)(=O)C2)c1N
InChIInChI=1S/C9H12N4O3S/c1-13-8(10)7(4-11-13)9(14)12-6-2-3-17(15,16)5-6/h2-4,6H,5,10H2,1H3,(H,12,14)
InChIKeyAFIIKGWLTHNFQC-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.96
Rot. Bonds2

About 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide

5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 115330965) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide
PubChem CID115330965
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C=CS(=O)(=O)C2)c1N
InChIInChI=1S/C9H12N4O3S/c1-13-8(10)7(4-11-13)9(14)12-6-2-3-17(15,16)5-6/h2-4,6H,5,10H2,1H3,(H,12,14)
InChIKeyAFIIKGWLTHNFQC-UHFFFAOYSA-N
XLogP-0.96
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-methyl-N-(3-methylcyclobutyl)pyrazole-4-carboxamide
CID 104589762
5-amino-1-methyl-N-(3-methylcyclopentyl)pyrazole-4-carboxamide
CID 114549373
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485263
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 113288605
5-amino-1-methyl-N-(2-methylsulfanylcyclopentyl)pyrazole-4-carboxamide
CID 104589557
5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485291
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide
CID 83022591
5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
CID 104589681
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide (CID 115330965) is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2C=CS(=O)(=O)C2)c1N.
What is the InChIKey of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is AFIIKGWLTHNFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-13-8(10)7(4-11-13)9(14)12-6-2-3-17(15,16)5-6/h2-4,6H,5,10H2,1H3,(H,12,14).
What are the key properties of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).