1H-pyrazol-4-ylsulfonylurea

C4H6N4O3S — CID 86127215

IUPAC1H-pyrazol-4-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C4H6N4O3S/c5-4(9)8-12(10,11)3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9)
InChIKeyKEKZADUGLAUSDC-UHFFFAOYSA-N
MW190.18 g/mol
LogP-1.23
Rot. Bonds2

About 1H-pyrazol-4-ylsulfonylurea

1H-pyrazol-4-ylsulfonylurea (PubChem CID 86127215) has the molecular formula C4H6N4O3S and a molecular weight of 190.18 g/mol. Its IUPAC name is 1H-pyrazol-4-ylsulfonylurea.

Molecular Properties

Compound Name1H-pyrazol-4-ylsulfonylurea
PubChem CID86127215
Molecular FormulaC4H6N4O3S
Molecular Weight190.18 g/mol
Exact Mass190.02
IUPAC Name1H-pyrazol-4-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C4H6N4O3S/c5-4(9)8-12(10,11)3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9)
InChIKeyKEKZADUGLAUSDC-UHFFFAOYSA-N
XLogP-1.23
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylsulfonylurea?
The IUPAC name of 1H-pyrazol-4-ylsulfonylurea (CID 86127215) is 1H-pyrazol-4-ylsulfonylurea.
What is the SMILES notation for 1H-pyrazol-4-ylsulfonylurea?
The canonical SMILES for 1H-pyrazol-4-ylsulfonylurea is NC(=O)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylsulfonylurea?
The InChIKey is KEKZADUGLAUSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S/c5-4(9)8-12(10,11)3-1-6-7-2-3/h1-2H,(H,6,7)(H3,5,8,9).
What are the key properties of 1H-pyrazol-4-ylsulfonylurea?
1H-pyrazol-4-ylsulfonylurea has a molecular weight of 190.18 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylsulfonylurea is sourced from PubChem (CID 86127215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).