3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

C15H20N4O5S — CID 8823122

IUPAC3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N4O5S/c1-9-14(10(2)19(3)17-9)25(21,22)18-16-15(20)11-6-12(23-4)8-13(7-11)24-5/h6-8,18H,1-5H3,(H,16,20)
InChIKeySSCDZNCFSFWHRN-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.68
Rot. Bonds6

About 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (PubChem CID 8823122) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
PubChem CID8823122
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N4O5S/c1-9-14(10(2)19(3)17-9)25(21,22)18-16-15(20)11-6-12(23-4)8-13(7-11)24-5/h6-8,18H,1-5H3,(H,16,20)
InChIKeySSCDZNCFSFWHRN-UHFFFAOYSA-N
XLogP0.68
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.68
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

2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8823276
5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide
CID 8823512
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
CID 8823100
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 45291030

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (CID 8823122) is 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The InChIKey is SSCDZNCFSFWHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-9-14(10(2)19(3)17-9)25(21,22)18-16-15(20)11-6-12(23-4)8-13(7-11)24-5/h6-8,18H,1-5H3,(H,16,20).
What are the key properties of 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide has a molecular weight of 368.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 8823122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).