ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate

C11H17N3O4S — CID 54937182

IUPACethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)10-5-3-4-6-14(10)19(16,17)9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13)
InChIKeyVDJDYVXCZJJWCF-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.52
Rot. Bonds4

About ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate

ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate (PubChem CID 54937182) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
PubChem CID54937182
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)10-5-3-4-6-14(10)19(16,17)9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13)
InChIKeyVDJDYVXCZJJWCF-UHFFFAOYSA-N
XLogP0.52
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
1-[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]propan-2-one
CID 79560351
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethyl 1-(3-methylsulfonylphenyl)sulfonylpiperidine-2-carboxylate
CID 55559347
[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]methanamine
CID 116640142
N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036044
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
ethyl 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylate
CID 47006019

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate (CID 54937182) is ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate?
The InChIKey is VDJDYVXCZJJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-18-11(15)10-5-3-4-6-14(10)19(16,17)9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate?
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 54937182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).