ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

C12H20N4O4S — CID 60713502

IUPACethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H20N4O4S/c1-3-20-12(17)10-8-13-14-11(10)21(18,19)15-9-4-6-16(2)7-5-9/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyAVLPMSQVLUJVEV-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.04
Rot. Bonds5

About ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 60713502) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID60713502
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H20N4O4S/c1-3-20-12(17)10-8-13-14-11(10)21(18,19)15-9-4-6-16(2)7-5-9/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyAVLPMSQVLUJVEV-UHFFFAOYSA-N
XLogP-0.04
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 60713502) is ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is AVLPMSQVLUJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-20-12(17)10-8-13-14-11(10)21(18,19)15-9-4-6-16(2)7-5-9/h8-9,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60713502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).