ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate

C16H20N4O4S — CID 45491519

IUPACethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-16(21)18-10-12-19(13-11-18)25(22,23)15-6-4-14(5-7-15)20-9-3-8-17-20/h3-9H,2,10-13H2,1H3
InChIKeySKRKGNCZXSMWIR-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.34
Rot. Bonds4

About ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 45491519) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID45491519
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Nameethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-16(21)18-10-12-19(13-11-18)25(22,23)15-6-4-14(5-7-15)20-9-3-8-17-20/h3-9H,2,10-13H2,1H3
InChIKeySKRKGNCZXSMWIR-UHFFFAOYSA-N
XLogP1.34
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799188
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 17445214
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
ethyl 4-[4-(3-oxomorpholin-4-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 110372453
(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55396668
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
ethyl 4-[2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 41006015
ethyl 4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 3871866

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate (CID 45491519) is ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is SKRKGNCZXSMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-24-16(21)18-10-12-19(13-11-18)25(22,23)15-6-4-14(5-7-15)20-9-3-8-17-20/h3-9H,2,10-13H2,1H3.
What are the key properties of ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 45491519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).