N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide

C4H8N6O3S — CID 136699928

IUPACN'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide
SMILESNC(=NO)c1cn[nH]c1NS(N)(=O)=O
InChIInChI=1S/C4H8N6O3S/c5-3(9-11)2-1-7-8-4(2)10-14(6,12)13/h1,11H,(H2,5,9)(H2,6,12,13)(H2,7,8,10)
InChIKeyFBEIUBVXDIEZPQ-UHFFFAOYSA-N
MW220.21 g/mol
LogP-1.88
Rot. Bonds3

About N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide

N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide (PubChem CID 136699928) has the molecular formula C4H8N6O3S and a molecular weight of 220.21 g/mol. Its IUPAC name is N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide
PubChem CID136699928
Molecular FormulaC4H8N6O3S
Molecular Weight220.21 g/mol
Exact Mass220.04
IUPAC NameN'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide
SMILESNC(=NO)c1cn[nH]c1NS(N)(=O)=O
InChIInChI=1S/C4H8N6O3S/c5-3(9-11)2-1-7-8-4(2)10-14(6,12)13/h1,11H,(H2,5,9)(H2,6,12,13)(H2,7,8,10)
InChIKeyFBEIUBVXDIEZPQ-UHFFFAOYSA-N
XLogP-1.88
TPSA159.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide (CID 136699928) is N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide is NC(=NO)c1cn[nH]c1NS(N)(=O)=O.
What is the InChIKey of N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide?
The InChIKey is FBEIUBVXDIEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O3S/c5-3(9-11)2-1-7-8-4(2)10-14(6,12)13/h1,11H,(H2,5,9)(H2,6,12,13)(H2,7,8,10).
What are the key properties of N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide?
N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide has a molecular weight of 220.21 g/mol, XLogP of -1.88, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 136699928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).