2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride

C79H55Cl6F18N11O9S — CID 158344595

IUPAC2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride
SMILESCOc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1.COc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)O)c2)cn1.NC1CC1.O=C(NC1CC1)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=C(O)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=S(Cl)Cl
InChIInChI=1S/C21H16ClF4N3O2.C20H13ClF5N3O.C18H11ClF4N2O3.C17H8ClF5N2O2.C3H7N.Cl2OS/c1-31-18-8-13(21(24,25)26)7-17(23)19(18)29-10-12(9-27-29)11-2-5-16(22)15(6-11)20(30)28-14-3-4-14;21-15-4-1-10(5-14(15)19(30)28-13-2-3-13)11-8-27-29(9-11)18-16(22)6-12(7-17(18)23)20(24,25)26;1-28-15-6-11(18(21,22)23)5-14(20)16(15)25-8-10(7-24-25)9-2-3-13(19)12(4-9)17(26)27;18-12-2-1-8(3-11(12)16(26)27)9-6-24-25(7-9)15-13(19)4-10(5-14(15)20)17(21,22)23;4-3-1-2-3;1-4(2)3/h2,5-10,14H,3-4H2,1H3,(H,28,30);1,4-9,13H,2-3H2,(H,28,30);2-8H,1H3,(H,26,27);1-7H,(H,26,27);3H,1-2,4H2;
InChIKeyGROQKQRGXXBCHO-UHFFFAOYSA-N
MW1889.13 g/mol
LogP22.03
Rot. Bonds16

About 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride

2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride (PubChem CID 158344595) has the molecular formula C79H55Cl6F18N11O9S and a molecular weight of 1889.13 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride
PubChem CID158344595
Molecular FormulaC79H55Cl6F18N11O9S
Molecular Weight1889.13 g/mol
Exact Mass1885.17
IUPAC Name2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride
SMILESCOc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1.COc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)O)c2)cn1.NC1CC1.O=C(NC1CC1)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=C(O)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=S(Cl)Cl
InChIInChI=1S/C21H16ClF4N3O2.C20H13ClF5N3O.C18H11ClF4N2O3.C17H8ClF5N2O2.C3H7N.Cl2OS/c1-31-18-8-13(21(24,25)26)7-17(23)19(18)29-10-12(9-27-29)11-2-5-16(22)15(6-11)20(30)28-14-3-4-14;21-15-4-1-10(5-14(15)19(30)28-13-2-3-13)11-8-27-29(9-11)18-16(22)6-12(7-17(18)23)20(24,25)26;1-28-15-6-11(18(21,22)23)5-14(20)16(15)25-8-10(7-24-25)9-2-3-13(19)12(4-9)17(26)27;18-12-2-1-8(3-11(12)16(26)27)9-6-24-25(7-9)15-13(19)4-10(5-14(15)20)17(21,22)23;4-3-1-2-3;1-4(2)3/h2,5-10,14H,3-4H2,1H3,(H,28,30);1,4-9,13H,2-3H2,(H,28,30);2-8H,1H3,(H,26,27);1-7H,(H,26,27);3H,1-2,4H2;
InChIKeyGROQKQRGXXBCHO-UHFFFAOYSA-N
XLogP22.03
TPSA265.63 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.13
LogP ≤ 522.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-5-[1-[2-methyl-4-(1,2,2,2-tetrafluoroethyl)-6-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide
CID 123354037
2-chloro-N-cyclopropyl-5-[1-[4-ethenyl-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130356967
2-chloro-N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283611
5-[1-[3-(2-bromo-2-chloro-1,1-difluoroethoxy)-1,4-dimethylpyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283668
5-[1-[4-bromo-1-methyl-3-(trifluoromethylsulfanyl)pyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283651
2-chloro-N-cyclopropyl-5-[1-[1-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129305995
2-chloro-N-cyclopropyl-5-[4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]pyrazol-1-yl]benzamide
CID 118070127
2-chloro-N-cyclopropyl-5-[1-[3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethyl)propoxy]-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 137419523
2-chloro-N-cyclopropyl-5-[1-[4-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130357088
2-chloro-N-cyclopropyl-5-[1-[4-ethynyl-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 130356970
[1-[5-[4-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]pyrazol-1-yl]-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]oxy-3,4,4,4-tetrafluorobutan-2-yl] thiohypofluorite
CID 129306002
methyl 2-chloro-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]pyrazol-4-yl]benzoate
CID 118070130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride (CID 158344595) is 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride is COc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1.COc1cc(C(F)(F)F)cc(F)c1-n1cc(-c2ccc(Cl)c(C(=O)O)c2)cn1.NC1CC1.O=C(NC1CC1)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=C(O)c1cc(-c2cnn(-c3c(F)cc(C(F)(F)F)cc3F)c2)ccc1Cl.O=S(Cl)Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride?
The InChIKey is GROQKQRGXXBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N3O2.C20H13ClF5N3O.C18H11ClF4N2O3.C17H8ClF5N2O2.C3H7N.Cl2OS/c1-31-18-8-13(21(24,25)26)7-17(23)19(18)29-10-12(9-27-29)11-2-5-16(22)15(6-11)20(30)28-14-3-4-14;21-15-4-1-10(5-14(15)19(30)28-13-2-3-13)11-8-27-29(9-11)18-16(22)6-12(7-17(18)23)20(24,25)26;1-28-15-6-11(18(21,22)23)5-14(20)16(15)25-8-10(7-24-25)9-2-3-13(19)12(4-9)17(26)27;18-12-2-1-8(3-11(12)16(26)27)9-6-24-25(7-9)15-13(19)4-10(5-14(15)20)17(21,22)23;4-3-1-2-3;1-4(2)3/h2,5-10,14H,3-4H2,1H3,(H,28,30);1,4-9,13H,2-3H2,(H,28,30);2-8H,1H3,(H,26,27);1-7H,(H,26,27);3H,1-2,4H2;.
What are the key properties of 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride?
2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride has a molecular weight of 1889.13 g/mol, XLogP of 22.03, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-N-cyclopropyl-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzamide;2-chloro-5-[1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;2-chloro-5-[1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid;cyclopropanamine;thionyl dichloride is sourced from PubChem (CID 158344595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).