1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide

C24H26ClF3N4O4S — CID 147875249

IUPAC1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2nn(C(C)(C)C)c(Oc3cncc(Cl)c3C(F)(F)F)c2C)cc1
InChIInChI=1S/C24H26ClF3N4O4S/c1-6-37(34,35)16-9-7-15(8-10-16)11-30-21(33)20-14(2)22(32(31-20)23(3,4)5)36-18-13-29-12-17(25)19(18)24(26,27)28/h7-10,12-13H,6,11H2,1-5H3,(H,30,33)
InChIKeyHZKBPBDXTFOMKU-UHFFFAOYSA-N
MW559.01 g/mol
LogP5.53
Rot. Bonds7

About 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide

1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 147875249) has the molecular formula C24H26ClF3N4O4S and a molecular weight of 559.01 g/mol. Its IUPAC name is 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide
PubChem CID147875249
Molecular FormulaC24H26ClF3N4O4S
Molecular Weight559.01 g/mol
Exact Mass558.13
IUPAC Name1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2nn(C(C)(C)C)c(Oc3cncc(Cl)c3C(F)(F)F)c2C)cc1
InChIInChI=1S/C24H26ClF3N4O4S/c1-6-37(34,35)16-9-7-15(8-10-16)11-30-21(33)20-14(2)22(32(31-20)23(3,4)5)36-18-13-29-12-17(25)19(18)24(26,27)28/h7-10,12-13H,6,11H2,1-5H3,(H,30,33)
InChIKeyHZKBPBDXTFOMKU-UHFFFAOYSA-N
XLogP5.53
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.01
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide 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

1-tert-butyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[[5-(hydroxymethyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methylpyrazole-3-carboxamide
CID 150771224
1-tert-butyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[[5-(3-hydroxypropyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methylpyrazole-3-carboxamide
CID 151877468
1-tert-butyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[[2-(1-hydroxyethyl)-3-(trifluoromethyl)-4-pyridinyl]oxy]-4-methylpyrazole-3-carboxamide
CID 150167969
1-tert-butyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[[5-[(3-hydroxycyclobutyl)amino]-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methylpyrazole-3-carboxamide
CID 150115025
1-tert-butyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-methyl-5-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pyrazole-3-carboxamide
CID 152690994
1-tert-butyl-4-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-5-[[5-(oxetan-3-yloxy)-4-(trifluoromethyl)-3-pyridinyl]oxy]pyrazole-3-carboxamide
CID 151119845
1-tert-butyl-5-[[4-(difluoromethyl)-5-ethoxy-3-pyridinyl]oxy]-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 151836994
1-tert-butyl-5-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-N-[[4-(methylamino)phenyl]methyl]pyrazole-3-carboxamide
CID 142394895
1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde
CID 142394835
1-tert-butyl-5-[2-cyano-3-(difluoromethoxy)phenoxy]-4-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 152616779
1-tert-butyl-4-chloro-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-3-carboxamide
CID 142394927
1-tert-butyl-4-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 83272547

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide (CID 147875249) is 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2nn(C(C)(C)C)c(Oc3cncc(Cl)c3C(F)(F)F)c2C)cc1.
What is the InChIKey of 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is HZKBPBDXTFOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O4S/c1-6-37(34,35)16-9-7-15(8-10-16)11-30-21(33)20-14(2)22(32(31-20)23(3,4)5)36-18-13-29-12-17(25)19(18)24(26,27)28/h7-10,12-13H,6,11H2,1-5H3,(H,30,33).
What are the key properties of 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide?
1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 559.01 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[[5-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]-N-[(4-ethylsulfonylphenyl)methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 147875249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).