2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide

C15H20N4O5S — CID 8822984

IUPAC2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCOc1ccc(OCC(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O5S/c1-10-15(11(2)19(3)17-10)25(21,22)18-16-14(20)9-24-13-7-5-12(23-4)6-8-13/h5-8,18H,9H2,1-4H3,(H,16,20)
InChIKeyNZFPZXUZXGZYES-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.43
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide

2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (PubChem CID 8822984) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
PubChem CID8822984
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCOc1ccc(OCC(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O5S/c1-10-15(11(2)19(3)17-10)25(21,22)18-16-14(20)9-24-13-7-5-12(23-4)6-8-13/h5-8,18H,9H2,1-4H3,(H,16,20)
InChIKeyNZFPZXUZXGZYES-UHFFFAOYSA-N
XLogP0.43
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823122
2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822975
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8823276
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 52508835
1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 78836123
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
CID 134710429
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (CID 8822984) is 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide is COc1ccc(OCC(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The InChIKey is NZFPZXUZXGZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-10-15(11(2)19(3)17-10)25(21,22)18-16-14(20)9-24-13-7-5-12(23-4)6-8-13/h5-8,18H,9H2,1-4H3,(H,16,20).
What are the key properties of 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide has a molecular weight of 368.42 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide is sourced from PubChem (CID 8822984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).