4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

C12H16N4O2S — CID 63580891

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cc(SCc2cc(C(=O)NN)oc2C)n(C)n1
InChIInChI=1S/C12H16N4O2S/c1-7-4-11(16(3)15-7)19-6-9-5-10(12(17)14-13)18-8(9)2/h4-5H,6,13H2,1-3H3,(H,14,17)
InChIKeyWOEKAYQBSBBIII-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.53
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63580891) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
PubChem CID63580891
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cc(SCc2cc(C(=O)NN)oc2C)n(C)n1
InChIInChI=1S/C12H16N4O2S/c1-7-4-11(16(3)15-7)19-6-9-5-10(12(17)14-13)18-8(9)2/h4-5H,6,13H2,1-3H3,(H,14,17)
InChIKeyWOEKAYQBSBBIII-UHFFFAOYSA-N
XLogP1.53
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (CID 63580891) is 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is Cc1cc(SCc2cc(C(=O)NN)oc2C)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is WOEKAYQBSBBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-4-11(16(3)15-7)19-6-9-5-10(12(17)14-13)18-8(9)2/h4-5H,6,13H2,1-3H3,(H,14,17).
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 280.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63580891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).