ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

C12H18N4O5S — CID 50771781

IUPACethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H18N4O5S/c1-2-21-12(18)9-7-14-15-11(9)22(19,20)16-5-3-8(4-6-16)10(13)17/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUBUVZKSAQCQJSP-UHFFFAOYSA-N
MW330.37 g/mol
LogP-0.53
Rot. Bonds5

About ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (PubChem CID 50771781) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
PubChem CID50771781
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC Nameethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H18N4O5S/c1-2-21-12(18)9-7-14-15-11(9)22(19,20)16-5-3-8(4-6-16)10(13)17/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUBUVZKSAQCQJSP-UHFFFAOYSA-N
XLogP-0.53
TPSA135.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (CID 50771781) is ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The InChIKey is UBUVZKSAQCQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c1-2-21-12(18)9-7-14-15-11(9)22(19,20)16-5-3-8(4-6-16)10(13)17/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate has a molecular weight of 330.37 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-carbamoylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 50771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).