methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate

C8H13N3O4S — CID 70537021

IUPACmethyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OC)c1S(=O)(=O)NC
InChIInChI=1S/C8H13N3O4S/c1-4-5-7(16(13,14)9-2)6(11-10-5)8(12)15-3/h9H,4H2,1-3H3,(H,10,11)
InChIKeyLVTPKTMSKNYHHE-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.33
Rot. Bonds4

About methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate

methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate (PubChem CID 70537021) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate
PubChem CID70537021
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Namemethyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OC)c1S(=O)(=O)NC
InChIInChI=1S/C8H13N3O4S/c1-4-5-7(16(13,14)9-2)6(11-10-5)8(12)15-3/h9H,4H2,1-3H3,(H,10,11)
InChIKeyLVTPKTMSKNYHHE-UHFFFAOYSA-N
XLogP-0.33
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-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 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate?
The IUPAC name of methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate (CID 70537021) is methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate is CCc1[nH]nc(C(=O)OC)c1S(=O)(=O)NC.
What is the InChIKey of methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate?
The InChIKey is LVTPKTMSKNYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-4-5-7(16(13,14)9-2)6(11-10-5)8(12)15-3/h9H,4H2,1-3H3,(H,10,11).
What are the key properties of methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate?
methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate has a molecular weight of 247.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-(methylsulfamoyl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 70537021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).