3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide

C12H14N4S — CID 107111032

IUPAC3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Sc1cnn(C)c1
InChIInChI=1S/C12H14N4S/c1-8-4-3-5-10(12(13)14)11(8)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14)
InChIKeyCXTNQDHZVOSDIF-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.16
Rot. Bonds3

About 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide

3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide (PubChem CID 107111032) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
PubChem CID107111032
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Sc1cnn(C)c1
InChIInChI=1S/C12H14N4S/c1-8-4-3-5-10(12(13)14)11(8)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14)
InChIKeyCXTNQDHZVOSDIF-UHFFFAOYSA-N
XLogP2.16
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide 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-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzoic acid
CID 107112677
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
3-methyl-2-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107111029
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
2-(2-carbamimidoyl-6-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233763
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide (CID 107111032) is 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Sc1cnn(C)c1.
What is the InChIKey of 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The InChIKey is CXTNQDHZVOSDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-4-3-5-10(12(13)14)11(8)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14).
What are the key properties of 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide has a molecular weight of 246.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107111032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).