ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate

C11H17N3O4S — CID 47140941

IUPACethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-8-12-13-10(9)19(16,17)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyWYQQCCPWBMLUJN-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.76
Rot. Bonds4

About ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate

ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate (PubChem CID 47140941) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate
PubChem CID47140941
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-8-12-13-10(9)19(16,17)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyWYQQCCPWBMLUJN-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate (CID 47140941) is ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate?
The InChIKey is WYQQCCPWBMLUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-18-11(15)9-8-12-13-10(9)19(16,17)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate?
ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperidin-1-ylsulfonyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 47140941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).