3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide

C11H13N5S — CID 62895788

IUPAC3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cnn(C)c1
InChIInChI=1S/C11H13N5S/c1-16-6-9(5-15-16)17-7-8-3-2-4-14-10(8)11(12)13/h2-6H,7H2,1H3,(H3,12,13)
InChIKeyCDSVTFPNTFVRGE-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.39
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide

3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide (PubChem CID 62895788) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
PubChem CID62895788
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cnn(C)c1
InChIInChI=1S/C11H13N5S/c1-16-6-9(5-15-16)17-7-8-3-2-4-14-10(8)11(12)13/h2-6H,7H2,1H3,(H3,12,13)
InChIKeyCDSVTFPNTFVRGE-UHFFFAOYSA-N
XLogP1.39
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.39
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'}

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Related Compounds

3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62893738
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
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 55128218
N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
CID 62468038
2-methyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]aniline
CID 61384653
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63158312
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
2-amino-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]benzoic acid
CID 113457466
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 61385146

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide (CID 62895788) is 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CSc1cnn(C)c1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The InChIKey is CDSVTFPNTFVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-16-6-9(5-15-16)17-7-8-3-2-4-14-10(8)11(12)13/h2-6H,7H2,1H3,(H3,12,13).
What are the key properties of 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide?
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide has a molecular weight of 247.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).