1-pyrazol-1-yl-3-sulfonylurea

C4H4N4O3S — CID 21464940

IUPAC1-pyrazol-1-yl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nn1cccn1
InChIInChI=1S/C4H4N4O3S/c9-4(7-12(10)11)6-8-3-1-2-5-8/h1-3H,(H,6,9)
InChIKeyZTEPBNYHOVSBSS-UHFFFAOYSA-N
MW188.17 g/mol
LogP-0.39
Rot. Bonds1

About 1-pyrazol-1-yl-3-sulfonylurea

1-pyrazol-1-yl-3-sulfonylurea (PubChem CID 21464940) has the molecular formula C4H4N4O3S and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-sulfonylurea.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-sulfonylurea
PubChem CID21464940
Molecular FormulaC4H4N4O3S
Molecular Weight188.17 g/mol
Exact Mass188.00
IUPAC Name1-pyrazol-1-yl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nn1cccn1
InChIInChI=1S/C4H4N4O3S/c9-4(7-12(10)11)6-8-3-1-2-5-8/h1-3H,(H,6,9)
InChIKeyZTEPBNYHOVSBSS-UHFFFAOYSA-N
XLogP-0.39
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ureidopyrazole
CID 19911942
Pyrazol-1-ylcarbamic acid
CID 21327343
Pyrazole-semicarbazide
CID 141079323
N-1H-pyrazol-1-ylformamide
CID 638906
1-Pyrazol-1-yl-1-sulfanylurea
CID 91368354
1-Isocyanatosulfanylsulfonylpyrazole
CID 19839378
pyrazol-1-ylcarbamothioic S-acid
CID 21113983
Pyrazol-1-ylsulfonylurea
CID 22167577
Pyrazol-1-ylcyanamide
CID 22178161
Carbamoyl pyrazole-1-sulfonate
CID 23055475
N-(oxomethylidene)pyrazole-1-sulfonamide
CID 23299107
pyrazol-1-ylsulfonylcarbamothioic S-acid
CID 56987384

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-sulfonylurea?
The IUPAC name of 1-pyrazol-1-yl-3-sulfonylurea (CID 21464940) is 1-pyrazol-1-yl-3-sulfonylurea.
What is the SMILES notation for 1-pyrazol-1-yl-3-sulfonylurea?
The canonical SMILES for 1-pyrazol-1-yl-3-sulfonylurea is O=C(N=S(=O)=O)Nn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-sulfonylurea?
The InChIKey is ZTEPBNYHOVSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3S/c9-4(7-12(10)11)6-8-3-1-2-5-8/h1-3H,(H,6,9).
What are the key properties of 1-pyrazol-1-yl-3-sulfonylurea?
1-pyrazol-1-yl-3-sulfonylurea has a molecular weight of 188.17 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-sulfonylurea is sourced from PubChem (CID 21464940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).