N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide

C16H19FN4O4S — CID 9416563

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O4S/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)7-8-26(24,25)14-5-3-13(17)4-6-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyKRFOSOVWKKNSGY-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.65
Rot. Bonds6

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide (PubChem CID 9416563) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
PubChem CID9416563
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O4S/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)7-8-26(24,25)14-5-3-13(17)4-6-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyKRFOSOVWKKNSGY-UHFFFAOYSA-N
XLogP0.65
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.65
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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24981020
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-2-((4-fluorophenyl)thio)acetamide
CID 49678045
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3-(phenylsulfonyl)propanamide
CID 49678052
2-{3,5-diethyl-4-[(4-fluorophenyl)sulfanyl]-1H-pyrazol-1-yl}propanamide
CID 60012225
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7780033
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 7969247
2-[4-(diethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 8169047
2-(3,4-difluorophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 8277727
2-(3,5-dimethylpyrazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8481693
2-(3,5-dimethylpyrazol-1-yl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8481694
N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 8481728
2-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
CID 8481743

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide (CID 9416563) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide?
The InChIKey is KRFOSOVWKKNSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)7-8-26(24,25)14-5-3-13(17)4-6-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide has a molecular weight of 382.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9416563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).