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

C11H17N3O4S — CID 54934456

IUPACethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-3-5-14(6-4-9)19(16,17)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyCZFVFMVEZXXRJE-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.37
Rot. Bonds4

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

ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate (PubChem CID 54934456) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
PubChem CID54934456
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-3-5-14(6-4-9)19(16,17)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyCZFVFMVEZXXRJE-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
CID 54937182
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 20958781
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate (CID 54934456) is ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate?
The InChIKey is CZFVFMVEZXXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-18-11(15)9-3-5-14(6-4-9)19(16,17)10-7-12-13-8-10/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate?
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.37, 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-4-carboxylate is sourced from PubChem (CID 54934456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).