N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide

C10H11N5O3S — CID 165481072

IUPACN'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
SMILESCS(=O)(=O)c1cnn(-c2cccc(/C(N)=N/O)n2)c1
InChIInChI=1S/C10H11N5O3S/c1-19(17,18)7-5-12-15(6-7)9-4-2-3-8(13-9)10(11)14-16/h2-6,16H,1H3,(H2,11,14)
InChIKeyFTJVPKVVSYCOTB-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.23
Rot. Bonds3

About N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide

N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide (PubChem CID 165481072) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
PubChem CID165481072
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
SMILESCS(=O)(=O)c1cnn(-c2cccc(/C(N)=N/O)n2)c1
InChIInChI=1S/C10H11N5O3S/c1-19(17,18)7-5-12-15(6-7)9-4-2-3-8(13-9)10(11)14-16/h2-6,16H,1H3,(H2,11,14)
InChIKeyFTJVPKVVSYCOTB-UHFFFAOYSA-N
XLogP-0.23
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074
6-(4-methylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62254263
[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol
CID 165480660
5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
CID 165472746
ethyl 1-[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 59406494
[6-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 165472914
6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
CID 137133766
3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481001
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165479622
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237
3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
CID 165472831

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide (CID 165481072) is N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide is CS(=O)(=O)c1cnn(-c2cccc(/C(N)=N/O)n2)c1.
What is the InChIKey of N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is FTJVPKVVSYCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-19(17,18)7-5-12-15(6-7)9-4-2-3-8(13-9)10(11)14-16/h2-6,16H,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 281.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 165481072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).