N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide

C91H87ClF10N12O12 — CID 161491846

IUPACN-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
SMILESCC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C23H19F6N3O3.C23H22F3N3O3.C23H25N3O3.C22H21ClFN3O3/c1-12(14-4-6-15(7-5-14)13(2)33)30-20(34)18-19(23(27,28)29)31-32(3)21(18)35-17-10-8-16(9-11-17)22(24,25)26;1-13(16-5-7-17(8-6-16)15(3)30)27-21(31)20-14(2)28-29(4)22(20)32-19-11-9-18(10-12-19)23(24,25)26;1-14-6-12-20(13-7-14)29-23-21(16(3)25-26(23)5)22(28)24-15(2)18-8-10-19(11-9-18)17(4)27;1-12(15-5-7-16(8-6-15)14(3)28)25-21(29)20-13(2)26-27(4)22(20)30-19-10-9-17(24)11-18(19)23/h4-12H,1-3H3,(H,30,34);5-13H,1-4H3,(H,27,31);6-13,15H,1-5H3,(H,24,28);5-12H,1-4H3,(H,25,29)/t12-;13-;15-;12-/m0000/s1
InChIKeyWFSCYGBREFWBFB-ANLGOGLQSA-N
MW1766.20 g/mol
LogP20.71
Rot. Bonds24

About N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide

N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide (PubChem CID 161491846) has the molecular formula C91H87ClF10N12O12 and a molecular weight of 1766.20 g/mol. Its IUPAC name is N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
PubChem CID161491846
Molecular FormulaC91H87ClF10N12O12
Molecular Weight1766.20 g/mol
Exact Mass1764.61
IUPAC NameN-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
SMILESCC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C23H19F6N3O3.C23H22F3N3O3.C23H25N3O3.C22H21ClFN3O3/c1-12(14-4-6-15(7-5-14)13(2)33)30-20(34)18-19(23(27,28)29)31-32(3)21(18)35-17-10-8-16(9-11-17)22(24,25)26;1-13(16-5-7-17(8-6-16)15(3)30)27-21(31)20-14(2)28-29(4)22(20)32-19-11-9-18(10-12-19)23(24,25)26;1-14-6-12-20(13-7-14)29-23-21(16(3)25-26(23)5)22(28)24-15(2)18-8-10-19(11-9-18)17(4)27;1-12(15-5-7-16(8-6-15)14(3)28)25-21(29)20-13(2)26-27(4)22(20)30-19-10-9-17(24)11-18(19)23/h4-12H,1-3H3,(H,30,34);5-13H,1-4H3,(H,27,31);6-13,15H,1-5H3,(H,24,28);5-12H,1-4H3,(H,25,29)/t12-;13-;15-;12-/m0000/s1
InChIKeyWFSCYGBREFWBFB-ANLGOGLQSA-N
XLogP20.71
TPSA292.88 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.20
LogP ≤ 520.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(4-acetylphenyl)cyclopropyl]-5-(3-chlorophenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;N-[1-(4-acetylphenyl)cyclopropyl]-5-(3,4-dichlorophenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;N-[1-(4-acetylphenyl)cyclopropyl]-5-(3,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(3,4-dichlorophenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 162245129
4-[1-[[1-methyl-3-(trifluoromethyl)-5-[5-(trifluoromethyl)thiophen-3-yl]oxypyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167297321
4-[1-[[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonyl]amino]ethenyl]benzoic acid
CID 163413410
4-[(1S)-1-[[5-(3-chloro-4-methylphenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 162565796
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
4-[1-[[5-(3-ethylphenoxy)-1,3-dimethylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175201609
methyl 4-[(1S)-1-[[5-[4-(1,1-difluoroethyl)phenoxy]-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoate
CID 156846002
4-[1-[[5-(3-acetylphenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167297342
4-[(1S)-1-[amino-[1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]-N-oxobenzamide
CID 122677928
N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 123680885
4-[(1S)-1-[[5-(4-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-2-ium-4-carbonyl]amino]ethyl]benzoic acid
CID 162590285
4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-(3,4,5-trifluorophenoxy)pyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 166593268

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide (CID 161491846) is N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide is CC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(C)cc2)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The InChIKey is WFSCYGBREFWBFB-ANLGOGLQSA-N. The full InChI is InChI=1S/C23H19F6N3O3.C23H22F3N3O3.C23H25N3O3.C22H21ClFN3O3/c1-12(14-4-6-15(7-5-14)13(2)33)30-20(34)18-19(23(27,28)29)31-32(3)21(18)35-17-10-8-16(9-11-17)22(24,25)26;1-13(16-5-7-17(8-6-16)15(3)30)27-21(31)20-14(2)28-29(4)22(20)32-19-11-9-18(10-12-19)23(24,25)26;1-14-6-12-20(13-7-14)29-23-21(16(3)25-26(23)5)22(28)24-15(2)18-8-10-19(11-9-18)17(4)27;1-12(15-5-7-16(8-6-15)14(3)28)25-21(29)20-13(2)26-27(4)22(20)30-19-10-9-17(24)11-18(19)23/h4-12H,1-3H3,(H,30,34);5-13H,1-4H3,(H,27,31);6-13,15H,1-5H3,(H,24,28);5-12H,1-4H3,(H,25,29)/t12-;13-;15-;12-/m0000/s1.
What are the key properties of N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide has a molecular weight of 1766.20 g/mol, XLogP of 20.71, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-acetylphenyl)ethyl]-5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-(4-methylphenoxy)pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide;N-[(1S)-1-(4-acetylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 161491846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).