5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide

C24H22F4N6O5S — CID 166905181

IUPAC5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2n[nH]c(-c3ccc(NS(=O)(=O)CC(F)(F)F)c(O[C@@H](C)c4ccc(F)cc4)c3)c2C(N)=O)no1
InChIInChI=1S/C24H22F4N6O5S/c1-12-9-19(33-39-12)30-23-20(22(29)35)21(31-32-23)15-5-8-17(34-40(36,37)11-24(26,27)28)18(10-15)38-13(2)14-3-6-16(25)7-4-14/h3-10,13,34H,11H2,1-2H3,(H2,29,35)(H2,30,31,32,33)/t13-/m0/s1
InChIKeyNHODBNHZLXEVFG-ZDUSSCGKSA-N
MW582.54 g/mol
LogP4.80
Rot. Bonds10

About 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide

5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 166905181) has the molecular formula C24H22F4N6O5S and a molecular weight of 582.54 g/mol. Its IUPAC name is 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide
PubChem CID166905181
Molecular FormulaC24H22F4N6O5S
Molecular Weight582.54 g/mol
Exact Mass582.13
IUPAC Name5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2n[nH]c(-c3ccc(NS(=O)(=O)CC(F)(F)F)c(O[C@@H](C)c4ccc(F)cc4)c3)c2C(N)=O)no1
InChIInChI=1S/C24H22F4N6O5S/c1-12-9-19(33-39-12)30-23-20(22(29)35)21(31-32-23)15-5-8-17(34-40(36,37)11-24(26,27)28)18(10-15)38-13(2)14-3-6-16(25)7-4-14/h3-10,13,34H,11H2,1-2H3,(H2,29,35)(H2,30,31,32,33)/t13-/m0/s1
InChIKeyNHODBNHZLXEVFG-ZDUSSCGKSA-N
XLogP4.80
TPSA165.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.54
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-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

3-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 166905099
5-[3-[(1S)-1-(4-chlorophenyl)ethoxy]-4-(difluoromethylsulfonylamino)phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905178
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 175430526
3-[[5-(1-adamantyl)-1,2-oxazol-3-yl]amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430553
5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide
CID 175430509
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 175430517
5-[4-(difluoromethylsulfonylamino)-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905103
6-[[4-carbamoyl-5-[4-(ethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazol-3-yl]amino]-N-[4-[[(2S)-1-[(4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]pyridine-3-carboxamide
CID 168945949
3-[(5-cyclopropylpyrazin-2-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430511
5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170053022
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
CID 95351163
5-[4-(ethylsulfonylamino)-2-[(4-fluorophenyl)methoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166904985

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide (CID 166905181) is 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide is Cc1cc(Nc2n[nH]c(-c3ccc(NS(=O)(=O)CC(F)(F)F)c(O[C@@H](C)c4ccc(F)cc4)c3)c2C(N)=O)no1.
What is the InChIKey of 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is NHODBNHZLXEVFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H22F4N6O5S/c1-12-9-19(33-39-12)30-23-20(22(29)35)21(31-32-23)15-5-8-17(34-40(36,37)11-24(26,27)28)18(10-15)38-13(2)14-3-6-16(25)7-4-14/h3-10,13,34H,11H2,1-2H3,(H2,29,35)(H2,30,31,32,33)/t13-/m0/s1.
What are the key properties of 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide?
5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 582.54 g/mol, XLogP of 4.80, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166905181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).