3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide

C14H18N4OS — CID 64559984

IUPAC3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
SMILESCc1cc(SCC(C(=O)NN)c2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-8-13(18(2)17-10)20-9-12(14(19)16-15)11-6-4-3-5-7-11/h3-8,12H,9,15H2,1-2H3,(H,16,19)
InChIKeyVEVXZZOLKXEVJC-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.59
Rot. Bonds5

About 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide

3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide (PubChem CID 64559984) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
PubChem CID64559984
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
SMILESCc1cc(SCC(C(=O)NN)c2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-8-13(18(2)17-10)20-9-12(14(19)16-15)11-6-4-3-5-7-11/h3-8,12H,9,15H2,1-2H3,(H,16,19)
InChIKeyVEVXZZOLKXEVJC-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560177
2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
2-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081
methyl 2-[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]phenyl]acetate
CID 115460948
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
CID 66227938
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580891
1,3-dimethyl-5-(2-phenylsulfanylethylsulfanyl)pyrazole
CID 79327096
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
CID 62408199

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide (CID 64559984) is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide is Cc1cc(SCC(C(=O)NN)c2ccccc2)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide?
The InChIKey is VEVXZZOLKXEVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-8-13(18(2)17-10)20-9-12(14(19)16-15)11-6-4-3-5-7-11/h3-8,12H,9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide?
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide has a molecular weight of 290.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide is sourced from PubChem (CID 64559984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).