3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide

C10H11N5O2S — CID 165481001

IUPAC3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H11N5O2S/c1-18(16,17)7-5-14-15(6-7)8-3-2-4-13-9(8)10(11)12/h2-6H,1H3,(H3,11,12)
InChIKeyRRBHDAFWOPXWAT-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.05
Rot. Bonds3

About 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide

3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide (PubChem CID 165481001) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
PubChem CID165481001
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H11N5O2S/c1-18(16,17)7-5-14-15(6-7)8-3-2-4-13-9(8)10(11)12/h2-6H,1H3,(H3,11,12)
InChIKeyRRBHDAFWOPXWAT-UHFFFAOYSA-N
XLogP-0.05
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165480871
5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
CID 165472746
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894922
(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 165477558
3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 106669769
3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
CID 165472831
N'-hydroxy-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074
3-propan-2-ylpyridine-2-carboximidamide
CID 131699759
N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481072
2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60873112
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide (CID 165481001) is 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1-n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is RRBHDAFWOPXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-18(16,17)7-5-14-15(6-7)8-3-2-4-13-9(8)10(11)12/h2-6H,1H3,(H3,11,12).
What are the key properties of 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide?
3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 265.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 165481001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).