4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide

C8H14N4S — CID 61385146

IUPAC4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cnn(C)c1
InChIInChI=1S/C8H14N4S/c1-12-6-7(5-11-12)13-4-2-3-8(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyMOERUUIOLHHHJX-UHFFFAOYSA-N
MW198.30 g/mol
LogP1.23
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide

4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide (PubChem CID 61385146) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
PubChem CID61385146
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSc1cnn(C)c1
InChIInChI=1S/C8H14N4S/c1-12-6-7(5-11-12)13-4-2-3-8(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyMOERUUIOLHHHJX-UHFFFAOYSA-N
XLogP1.23
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 51.23
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

4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 61384823
2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 65251976
4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
CID 63590297
3-(1-methylpyrazol-4-yl)sulfanyl-3-phenylpropanimidamide
CID 62780267
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
4-(2-methylphenyl)sulfanylbutanimidamide
CID 60892007
[2-[3-(1-methylpyrazol-4-yl)sulfanylpropoxy]phenyl]methanamine
CID 61385307
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
CID 61385152
4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 62898468
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide (CID 61385146) is 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide is [H]/N=C(\N)CCCSc1cnn(C)c1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The InChIKey is MOERUUIOLHHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-12-6-7(5-11-12)13-4-2-3-8(9)10/h5-6H,2-4H2,1H3,(H3,9,10).
What are the key properties of 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide has a molecular weight of 198.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide is sourced from PubChem (CID 61385146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).