3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide

C12H15N5S — CID 62893738

IUPAC3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cc(C)nn1C
InChIInChI=1S/C12H15N5S/c1-8-6-10(17(2)16-8)18-7-9-4-3-5-15-11(9)12(13)14/h3-6H,7H2,1-2H3,(H3,13,14)
InChIKeyUUHNCOHYKUSBGC-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.70
Rot. Bonds4

About 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide

3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide (PubChem CID 62893738) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
PubChem CID62893738
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cc(C)nn1C
InChIInChI=1S/C12H15N5S/c1-8-6-10(17(2)16-8)18-7-9-4-3-5-15-11(9)12(13)14/h3-6H,7H2,1-2H3,(H3,13,14)
InChIKeyUUHNCOHYKUSBGC-UHFFFAOYSA-N
XLogP1.70
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 55128218
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 55249868
3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 107786082
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239
4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
CID 62410502
methyl 2-[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]phenyl]acetate
CID 115460948
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide (CID 62893738) is 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CSc1cc(C)nn1C.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The InChIKey is UUHNCOHYKUSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-8-6-10(17(2)16-8)18-7-9-4-3-5-15-11(9)12(13)14/h3-6H,7H2,1-2H3,(H3,13,14).
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).