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

C8H16N6O3S — CID 137287419

IUPAC5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide
SMILESCCN(CC)S(=O)(=O)Nc1[nH]ncc1/C(N)=N/O
InChIInChI=1S/C8H16N6O3S/c1-3-14(4-2)18(16,17)13-8-6(5-10-11-8)7(9)12-15/h5,15H,3-4H2,1-2H3,(H2,9,12)(H2,10,11,13)
InChIKeyNWENKGJJNWLLNH-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.50
Rot. Bonds6

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

5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide (PubChem CID 137287419) has the molecular formula C8H16N6O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide
PubChem CID137287419
Molecular FormulaC8H16N6O3S
Molecular Weight276.32 g/mol
Exact Mass276.10
IUPAC Name5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide
SMILESCCN(CC)S(=O)(=O)Nc1[nH]ncc1/C(N)=N/O
InChIInChI=1S/C8H16N6O3S/c1-3-14(4-2)18(16,17)13-8-6(5-10-11-8)7(9)12-15/h5,15H,3-4H2,1-2H3,(H2,9,12)(H2,10,11,13)
InChIKeyNWENKGJJNWLLNH-UHFFFAOYSA-N
XLogP-0.50
TPSA136.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide
CID 136699928
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-methylhexanamide
CID 136999075
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 136768455
5-(dipropylsulfamoylamino)-4-ethyl-1H-pyrazole
CID 104621063
2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide
CID 136705914
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 136905920
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-4-methylbenzamide
CID 136776120
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
CID 136771415
2-bromo-6-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]benzamide
CID 137005417
N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
CID 137296099
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
CID 113258114

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide?
The IUPAC name of 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide (CID 137287419) is 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide?
The canonical SMILES for 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide is CCN(CC)S(=O)(=O)Nc1[nH]ncc1/C(N)=N/O.
What is the InChIKey of 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide?
The InChIKey is NWENKGJJNWLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O3S/c1-3-14(4-2)18(16,17)13-8-6(5-10-11-8)7(9)12-15/h5,15H,3-4H2,1-2H3,(H2,9,12)(H2,10,11,13).
What are the key properties of 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide?
5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide has a molecular weight of 276.32 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoylamino)-N'-hydroxy-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 137287419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).