4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

C16H22N4O4S — CID 8823114

IUPAC4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-13(7-9-14)16(21)17-19-25(22,23)15-11(3)18-20(5)12(15)4/h6-10,19H,1-5H3,(H,17,21)
InChIKeyBOZCFYIMQCWTIR-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.45
Rot. Bonds6

About 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (PubChem CID 8823114) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
PubChem CID8823114
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-13(7-9-14)16(21)17-19-25(22,23)15-11(3)18-20(5)12(15)4/h6-10,19H,1-5H3,(H,17,21)
InChIKeyBOZCFYIMQCWTIR-UHFFFAOYSA-N
XLogP1.45
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.45
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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Related Compounds

(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8823276
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide
CID 27638160
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
5-ethyl-4-methyl-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylthiophene-2-carbohydrazide
CID 8823512
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
CID 8823100

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The IUPAC name of 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (CID 8823114) is 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The canonical SMILES for 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The InChIKey is BOZCFYIMQCWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-13(7-9-14)16(21)17-19-25(22,23)15-11(3)18-20(5)12(15)4/h6-10,19H,1-5H3,(H,17,21).
What are the key properties of 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide has a molecular weight of 366.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 8823114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).