4-cyano-5-(sulfamoylamino)-1H-pyrazole

C4H5N5O2S — CID 67399679

IUPAC4-cyano-5-(sulfamoylamino)-1H-pyrazole
SMILESN#Cc1cn[nH]c1NS(N)(=O)=O
InChIInChI=1S/C4H5N5O2S/c5-1-3-2-7-8-4(3)9-12(6,10)11/h2H,(H2,6,10,11)(H2,7,8,9)
InChIKeyZPFCITFQOCDZLB-UHFFFAOYSA-N
MW187.18 g/mol
LogP-1.10
Rot. Bonds2

About 4-cyano-5-(sulfamoylamino)-1H-pyrazole

4-cyano-5-(sulfamoylamino)-1H-pyrazole (PubChem CID 67399679) has the molecular formula C4H5N5O2S and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-cyano-5-(sulfamoylamino)-1H-pyrazole.

Molecular Properties

Compound Name4-cyano-5-(sulfamoylamino)-1H-pyrazole
PubChem CID67399679
Molecular FormulaC4H5N5O2S
Molecular Weight187.18 g/mol
Exact Mass187.02
IUPAC Name4-cyano-5-(sulfamoylamino)-1H-pyrazole
SMILESN#Cc1cn[nH]c1NS(N)(=O)=O
InChIInChI=1S/C4H5N5O2S/c5-1-3-2-7-8-4(3)9-12(6,10)11/h2H,(H2,6,10,11)(H2,7,8,9)
InChIKeyZPFCITFQOCDZLB-UHFFFAOYSA-N
XLogP-1.10
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(sulfamoylamino)-1H-pyrazole?
The IUPAC name of 4-cyano-5-(sulfamoylamino)-1H-pyrazole (CID 67399679) is 4-cyano-5-(sulfamoylamino)-1H-pyrazole.
What is the SMILES notation for 4-cyano-5-(sulfamoylamino)-1H-pyrazole?
The canonical SMILES for 4-cyano-5-(sulfamoylamino)-1H-pyrazole is N#Cc1cn[nH]c1NS(N)(=O)=O.
What is the InChIKey of 4-cyano-5-(sulfamoylamino)-1H-pyrazole?
The InChIKey is ZPFCITFQOCDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O2S/c5-1-3-2-7-8-4(3)9-12(6,10)11/h2H,(H2,6,10,11)(H2,7,8,9).
What are the key properties of 4-cyano-5-(sulfamoylamino)-1H-pyrazole?
4-cyano-5-(sulfamoylamino)-1H-pyrazole has a molecular weight of 187.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(sulfamoylamino)-1H-pyrazole is sourced from PubChem (CID 67399679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).