2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide

C10H11N5S — CID 61385303

IUPAC2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Sc1cnn(C)c1
InChIInChI=1S/C10H11N5S/c1-15-6-7(5-14-15)16-10-8(9(11)12)3-2-4-13-10/h2-6H,1H3,(H3,11,12)
InChIKeyLFSCECJWAIWBDT-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.25
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide

2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide (PubChem CID 61385303) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
PubChem CID61385303
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Sc1cnn(C)c1
InChIInChI=1S/C10H11N5S/c1-15-6-7(5-14-15)16-10-8(9(11)12)3-2-4-13-10/h2-6H,1H3,(H3,11,12)
InChIKeyLFSCECJWAIWBDT-UHFFFAOYSA-N
XLogP1.25
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.25
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-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 107111032
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603201
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
2-[(3-carbamimidoyl-2-pyridinyl)sulfanyl]acetic acid
CID 82240600
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
CID 63856837
3-(1-methylpyrazol-4-yl)sulfanyl-3-phenylpropanimidamide
CID 62780267
3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
CID 80515873
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide (CID 61385303) is 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Sc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide?
The InChIKey is LFSCECJWAIWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-15-6-7(5-14-15)16-10-8(9(11)12)3-2-4-13-10/h2-6H,1H3,(H3,11,12).
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide?
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide has a molecular weight of 233.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 61385303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).