5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide

C9H11F3N4O3S — CID 106219411

IUPAC5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1S(N)(=O)=O
InChIInChI=1S/C9H11F3N4O3S/c1-4-6(20(13,18)19)5(16-15-4)7(17)14-8(2-3-8)9(10,11)12/h2-3H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyKWZOWHIADGGMKB-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.19
Rot. Bonds3

About 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide

5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 106219411) has the molecular formula C9H11F3N4O3S and a molecular weight of 312.27 g/mol. Its IUPAC name is 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
PubChem CID106219411
Molecular FormulaC9H11F3N4O3S
Molecular Weight312.27 g/mol
Exact Mass312.05
IUPAC Name5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1S(N)(=O)=O
InChIInChI=1S/C9H11F3N4O3S/c1-4-6(20(13,18)19)5(16-15-4)7(17)14-8(2-3-8)9(10,11)12/h2-3H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyKWZOWHIADGGMKB-UHFFFAOYSA-N
XLogP0.19
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(difluoromethyl)cyclopropyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126768307
5-ethyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65369995
5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65370190
5-methyl-3-[propyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65370623
5-propan-2-yl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371244
5-methyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371431
5-propyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371435
5-methyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65372297
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65372551
5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65372730
5-cyclopropyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide (CID 106219411) is 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2(C(F)(F)F)CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KWZOWHIADGGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3S/c1-4-6(20(13,18)19)5(16-15-4)7(17)14-8(2-3-8)9(10,11)12/h2-3H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 312.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106219411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).