1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

C19H20F3N5O3S — CID 171772175

IUPAC1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC23CCC2C3)ccn1
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)14-15(10-1-2-10)26-27(9-18-5-3-11(18)8-18)16(14)17(28)25-12-4-6-24-13(7-12)31(23,29)30/h4,6-7,10-11H,1-3,5,8-9H2,(H2,23,29,30)(H,24,25,28)
InChIKeyQUGHTGFGDDHKAV-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.87
Rot. Bonds6

About 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 171772175) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID171772175
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC23CCC2C3)ccn1
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)14-15(10-1-2-10)26-27(9-18-5-3-11(18)8-18)16(14)17(28)25-12-4-6-24-13(7-12)31(23,29)30/h4,6-7,10-11H,1-3,5,8-9H2,(H2,23,29,30)(H,24,25,28)
InChIKeyQUGHTGFGDDHKAV-UHFFFAOYSA-N
XLogP2.87
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800625
3-cyclopropyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-1-(spiro[3.3]heptan-3-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800484
4-[[3-cyclopropyl-1-[(2,2-difluorocyclobutyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylic acid
CID 167334374
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-(2-dimethylphosphoryl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772329
1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-3-spiro[2.2]pentan-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800791
1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772346
4-[[3-cyclopropyl-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528561
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
CID 171772180
3-(2,3-difluorocyclopropyl)-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800549
3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-N-[3-(methylsulfonimidoyl)phenyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800604
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(2-methylsulfonyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239583

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 171772175) is 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC23CCC2C3)ccn1.
What is the InChIKey of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QUGHTGFGDDHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c20-19(21,22)14-15(10-1-2-10)26-27(9-18-5-3-11(18)8-18)16(14)17(28)25-12-4-6-24-13(7-12)31(23,29)30/h4,6-7,10-11H,1-3,5,8-9H2,(H2,23,29,30)(H,24,25,28).
What are the key properties of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 455.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171772175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).