4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide

C9H16N4S — CID 62410502

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cc(C)nn1C
InChIInChI=1S/C9H16N4S/c1-7-6-9(13(2)12-7)14-5-3-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11)
InChIKeyNGLQMYASGFYMKU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.54
Rot. Bonds5

About 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide

4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide (PubChem CID 62410502) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
PubChem CID62410502
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cc(C)nn1C
InChIInChI=1S/C9H16N4S/c1-7-6-9(13(2)12-7)14-5-3-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11)
InChIKeyNGLQMYASGFYMKU-UHFFFAOYSA-N
XLogP1.54
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylpropane-1-thiol
CID 46175005
5-(4,4-Difluorobut-3-enylsulfanyl)-1,3-dimethylpyrazole
CID 21850411
1-Methyl-5-(2-methylpropylsulfanyl)-3-(trifluoromethyl)pyrazole
CID 53716391
1-Methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
CID 141140302
5-Ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 141380523
3-(Difluoromethyl)-1-methyl-5-methylsulfanylpyrazole
CID 170134097
2-(2,5-Dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
3-(2,5-Dimethylpyrazol-3-yl)sulfanyl-4,4,4-trifluorobutan-2-amine
CID 62409942
2-(2,5-Dimethylpyrazol-3-yl)sulfanyl-1,1,1-trifluoropentan-3-amine
CID 62410291
3-(2,5-Dimethylpyrazol-3-yl)sulfanyl-4,4,4-trifluorobutan-1-amine
CID 62410700
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62579552
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62581912

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide (CID 62410502) is 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide is [H]/N=C(\N)CCCSc1cc(C)nn1C.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide?
The InChIKey is NGLQMYASGFYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-6-9(13(2)12-7)14-5-3-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide?
4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide has a molecular weight of 212.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide is sourced from PubChem (CID 62410502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).