methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate

C8H10ClN3O6S — CID 101144169

IUPACmethyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C
InChIInChI=1S/C8H10ClN3O6S/c1-12-6(19(15,16)11-8(14)18-3)4(5(9)10-12)7(13)17-2/h1-3H3,(H,11,14)
InChIKeyVMLWCWJNYNPCNC-UHFFFAOYSA-N
MW311.70 g/mol
LogP-0.10
Rot. Bonds3

About methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate

methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate (PubChem CID 101144169) has the molecular formula C8H10ClN3O6S and a molecular weight of 311.70 g/mol. Its IUPAC name is methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate
PubChem CID101144169
Molecular FormulaC8H10ClN3O6S
Molecular Weight311.70 g/mol
Exact Mass311.00
IUPAC Namemethyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C
InChIInChI=1S/C8H10ClN3O6S/c1-12-6(19(15,16)11-8(14)18-3)4(5(9)10-12)7(13)17-2/h1-3H3,(H,11,14)
InChIKeyVMLWCWJNYNPCNC-UHFFFAOYSA-N
XLogP-0.10
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate (CID 101144169) is methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate is COC(=O)NS(=O)(=O)c1c(C(=O)OC)c(Cl)nn1C.
What is the InChIKey of methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate?
The InChIKey is VMLWCWJNYNPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O6S/c1-12-6(19(15,16)11-8(14)18-3)4(5(9)10-12)7(13)17-2/h1-3H3,(H,11,14).
What are the key properties of methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate?
methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate has a molecular weight of 311.70 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 101144169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).