4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide

C8H14N4OS — CID 63590297

IUPAC4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
SMILESCn1cc(SCCCC(=O)NN)cn1
InChIInChI=1S/C8H14N4OS/c1-12-6-7(5-10-12)14-4-2-3-8(13)11-9/h5-6H,2-4,9H2,1H3,(H,11,13)
InChIKeyVIEFOEIDFPDKKU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.28
Rot. Bonds5

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

4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide (PubChem CID 63590297) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
PubChem CID63590297
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
SMILESCn1cc(SCCCC(=O)NN)cn1
InChIInChI=1S/C8H14N4OS/c1-12-6-7(5-10-12)14-4-2-3-8(13)11-9/h5-6H,2-4,9H2,1H3,(H,11,13)
InChIKeyVIEFOEIDFPDKKU-UHFFFAOYSA-N
XLogP0.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 61384823
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 61385146
N-(4-amino-2,6-dichlorophenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384728
N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384763
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
2-(cyclopropylamino)-2-ethyl-5-(1-methylpyrazol-4-yl)sulfanylpentanoic acid
CID 106807455
4-pyrimidin-2-ylsulfanylbutanehydrazide
CID 63581554
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63639574
4-(4-methylpyrazol-1-yl)butanehydrazide
CID 63578152

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide (CID 63590297) is 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide is Cn1cc(SCCCC(=O)NN)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide?
The InChIKey is VIEFOEIDFPDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12-6-7(5-10-12)14-4-2-3-8(13)11-9/h5-6H,2-4,9H2,1H3,(H,11,13).
What are the key properties of 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide?
4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide is sourced from PubChem (CID 63590297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).