ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate

C17H20ClN3O4S — CID 22267580

IUPACethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(S(=O)(=O)N(C)C)cc2Cl)c1C1CC1
InChIInChI=1S/C17H20ClN3O4S/c1-4-25-17(22)13-10-19-21(16(13)11-5-6-11)15-8-7-12(9-14(15)18)26(23,24)20(2)3/h7-11H,4-6H2,1-3H3
InChIKeyILKFROJXKJIHBF-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.83
Rot. Bonds6

About ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate

ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate (PubChem CID 22267580) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
PubChem CID22267580
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Nameethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(S(=O)(=O)N(C)C)cc2Cl)c1C1CC1
InChIInChI=1S/C17H20ClN3O4S/c1-4-25-17(22)13-10-19-21(16(13)11-5-6-11)15-8-7-12(9-14(15)18)26(23,24)20(2)3/h7-11H,4-6H2,1-3H3
InChIKeyILKFROJXKJIHBF-UHFFFAOYSA-N
XLogP2.83
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-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

Related Compounds

ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
CID 22267642
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
CID 86806324
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
CID 22268010
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
CID 22268014
propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate
CID 162747457
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate (CID 22267580) is ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(S(=O)(=O)N(C)C)cc2Cl)c1C1CC1.
What is the InChIKey of ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate?
The InChIKey is ILKFROJXKJIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-4-25-17(22)13-10-19-21(16(13)11-5-6-11)15-8-7-12(9-14(15)18)26(23,24)20(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate?
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate has a molecular weight of 397.88 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate is sourced from PubChem (CID 22267580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).