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

C8H12N4O3S — CID 83240990

IUPAC5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C8H12N4O3S/c9-7-6(8(10)13)3-11-12(7)5-1-2-16(14,15)4-5/h3,5H,1-2,4,9H2,(H2,10,13)
InChIKeyMHKAIDHBUVHQPS-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.08
Rot. Bonds2

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

5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide (PubChem CID 83240990) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
PubChem CID83240990
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C8H12N4O3S/c9-7-6(8(10)13)3-11-12(7)5-1-2-16(14,15)4-5/h3,5H,1-2,4,9H2,(H2,10,13)
InChIKeyMHKAIDHBUVHQPS-UHFFFAOYSA-N
XLogP-1.08
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 43102705
4-chloro-1-(1,1-dioxothian-3-yl)pyrazol-5-amine
CID 63921845
1-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
CID 40518552
1-(1,1-dioxothiolan-3-yl)-5-propylpyrazole-4-carboxylic acid
CID 43094999
(3S)-1-[1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95577778
1-[4-[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 110383617
N-cyclopentyl-1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carboxamide
CID 75357656
5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide
CID 58216875
5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
CID 159439118
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
CID 94237847
N-(cyclobutylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
CID 97311808
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide (CID 83240990) is 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is MHKAIDHBUVHQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-7-6(8(10)13)3-11-12(7)5-1-2-16(14,15)4-5/h3,5H,1-2,4,9H2,(H2,10,13).
What are the key properties of 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide?
5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 244.28 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 83240990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).