N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide

C8H13N5O3S — CID 77036044

IUPACN'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N5O3S/c9-8(12-14)7-2-1-3-13(7)17(15,16)6-4-10-11-5-6/h4-5,7,14H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyCBLZUGTWBIKDCR-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.69
Rot. Bonds3

About N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide (PubChem CID 77036044) has the molecular formula C8H13N5O3S and a molecular weight of 259.29 g/mol. Its IUPAC name is N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
PubChem CID77036044
Molecular FormulaC8H13N5O3S
Molecular Weight259.29 g/mol
Exact Mass259.07
IUPAC NameN'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N5O3S/c9-8(12-14)7-2-1-3-13(7)17(15,16)6-4-10-11-5-6/h4-5,7,14H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyCBLZUGTWBIKDCR-UHFFFAOYSA-N
XLogP-0.69
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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

(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
CID 54937182
N'-hydroxy-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036319
[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]methanamine
CID 116640142
1-(1H-pyrazol-4-ylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680697
1-[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]propan-2-one
CID 79560351
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
1-(2-bromophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036015
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide (CID 77036044) is N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide?
The InChIKey is CBLZUGTWBIKDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S/c9-8(12-14)7-2-1-3-13(7)17(15,16)6-4-10-11-5-6/h4-5,7,14H,1-3H2,(H2,9,12)(H,10,11).
What are the key properties of N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide has a molecular weight of 259.29 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).