ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate

C10H12F3N3O4S — CID 106209125

IUPACethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3O4S/c1-2-20-8(17)6-5-14-15-7(6)21(18,19)16-9(3-4-9)10(11,12)13/h5,16H,2-4H2,1H3,(H,14,15)
InChIKeyPOXQIVKLRHDCLY-UHFFFAOYSA-N
MW327.28 g/mol
LogP0.96
Rot. Bonds5

About ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 106209125) has the molecular formula C10H12F3N3O4S and a molecular weight of 327.28 g/mol. Its IUPAC name is ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID106209125
Molecular FormulaC10H12F3N3O4S
Molecular Weight327.28 g/mol
Exact Mass327.05
IUPAC Nameethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3O4S/c1-2-20-8(17)6-5-14-15-7(6)21(18,19)16-9(3-4-9)10(11,12)13/h5,16H,2-4H2,1H3,(H,14,15)
InChIKeyPOXQIVKLRHDCLY-UHFFFAOYSA-N
XLogP0.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-, ethyl ester
CID 3024591
ethyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate
CID 9991817
methyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate
CID 18363150
ethyl 3-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole-4-carboxylate
CID 29847207
ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 54933927
5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 55175721
ethyl 5-[methyl(3,3,3-trifluoropropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 61395371
5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61605845
ethyl 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 63226082
5-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 63826976
5-(2,2,2-trifluoroethoxysulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 82706093
ethyl 5-(2,2,2-trifluoroethoxysulfamoyl)-1H-pyrazole-4-carboxylate
CID 82706762

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate (CID 106209125) is ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is POXQIVKLRHDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4S/c1-2-20-8(17)6-5-14-15-7(6)21(18,19)16-9(3-4-9)10(11,12)13/h5,16H,2-4H2,1H3,(H,14,15).
What are the key properties of ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 327.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 106209125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).