2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide

C12H16N4O4S — CID 8823088

IUPAC2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C12H16N4O4S/c1-7-11(8(2)16(4)14-7)21(18,19)15-13-12(17)10-5-6-20-9(10)3/h5-6,15H,1-4H3,(H,13,17)
InChIKeyYFEYHXKKSDROLK-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.56
Rot. Bonds4

About 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide

2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide (PubChem CID 8823088) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide
PubChem CID8823088
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C12H16N4O4S/c1-7-11(8(2)16(4)14-7)21(18,19)15-13-12(17)10-5-6-20-9(10)3/h5-6,15H,1-4H3,(H,13,17)
InChIKeyYFEYHXKKSDROLK-UHFFFAOYSA-N
XLogP0.56
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide (CID 8823088) is 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide is Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide?
The InChIKey is YFEYHXKKSDROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-7-11(8(2)16(4)14-7)21(18,19)15-13-12(17)10-5-6-20-9(10)3/h5-6,15H,1-4H3,(H,13,17).
What are the key properties of 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide?
2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide has a molecular weight of 312.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 8823088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).