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

C8H12N4O3S — CID 43159516

IUPAC5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H12N4O3S/c9-7-6(3-10-12-7)8(13)11-5-1-2-16(14,15)4-5/h3,5H,1-2,4H2,(H,11,13)(H3,9,10,12)
InChIKeyZBHMZALLEZBSKM-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.09
Rot. Bonds2

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

5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43159516) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID43159516
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H12N4O3S/c9-7-6(3-10-12-7)8(13)11-5-1-2-16(14,15)4-5/h3,5H,1-2,4H2,(H,11,13)(H3,9,10,12)
InChIKeyZBHMZALLEZBSKM-UHFFFAOYSA-N
XLogP-1.09
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135541124
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(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone
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5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide
CID 43159390
5-amino-N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43297022
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
5-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide
CID 43546330
(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581928
5-amino-N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
CID 43615545
N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
CID 43615577
5-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 43649051
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 43649066

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide (CID 43159516) is 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZBHMZALLEZBSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-7-6(3-10-12-7)8(13)11-5-1-2-16(14,15)4-5/h3,5H,1-2,4H2,(H,11,13)(H3,9,10,12).
What are the key properties of 5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide?
5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 244.28 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 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)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).