ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate

C12H14N4O4S — CID 14049156

IUPACethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccccn2)c1S(N)(=O)=O
InChIInChI=1S/C12H14N4O4S/c1-3-20-12(17)10-8(2)15-16(11(10)21(13,18)19)9-6-4-5-7-14-9/h4-7H,3H2,1-2H3,(H2,13,18,19)
InChIKeyCKDOJFBUJCQGHA-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.40
Rot. Bonds4

About ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate

ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 14049156) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate
PubChem CID14049156
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Nameethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccccn2)c1S(N)(=O)=O
InChIInChI=1S/C12H14N4O4S/c1-3-20-12(17)10-8(2)15-16(11(10)21(13,18)19)9-6-4-5-7-14-9/h4-7H,3H2,1-2H3,(H2,13,18,19)
InChIKeyCKDOJFBUJCQGHA-UHFFFAOYSA-N
XLogP0.40
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate (CID 14049156) is ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccccn2)c1S(N)(=O)=O.
What is the InChIKey of ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is CKDOJFBUJCQGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-3-20-12(17)10-8(2)15-16(11(10)21(13,18)19)9-6-4-5-7-14-9/h4-7H,3H2,1-2H3,(H2,13,18,19).
What are the key properties of ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate?
ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 310.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-pyridin-2-yl-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 14049156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).