5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide

C10H12N6O3S — CID 86701915

IUPAC5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1N
InChIInChI=1S/C10H12N6O3S/c11-8-7(9(12)17)10(16-15-8)14-5-1-3-6(4-2-5)20(13,18)19/h1-4H,(H2,12,17)(H2,13,18,19)(H4,11,14,15,16)
InChIKeyNPSOBYUAAHMXRV-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.52
Rot. Bonds4

About 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 86701915) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
PubChem CID86701915
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1N
InChIInChI=1S/C10H12N6O3S/c11-8-7(9(12)17)10(16-15-8)14-5-1-3-6(4-2-5)20(13,18)19/h1-4H,(H2,12,17)(H2,13,18,19)(H4,11,14,15,16)
InChIKeyNPSOBYUAAHMXRV-UHFFFAOYSA-N
XLogP-0.52
TPSA169.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide (CID 86701915) is 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is NPSOBYUAAHMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c11-8-7(9(12)17)10(16-15-8)14-5-1-3-6(4-2-5)20(13,18)19/h1-4H,(H2,12,17)(H2,13,18,19)(H4,11,14,15,16).
What are the key properties of 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).