5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole

C103H101Br4F12N15O11S — CID 161281498

IUPAC5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole
SMILESC.C.CCOC(=O)c1cc2cc(Br)ccc2[nH]1.CCOC(=O)c1cc2cc(Br)ccc2n1C1CC1.FC(F)(F)c1ccn[nH]1.[2H]C([2H])(O)c1cc2cc(Br)ccc2n1C1CC1.[2H]C([2H])(c1cc2cc(Br)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)O)ccc2n1C1CC1)n1nccc1C(F)(F)F
InChIInChI=1S/C27H27F3N4O4S.C17H14F3N3O2.C16H13BrF3N3.C14H14BrNO2.C12H12BrNO.C11H10BrNO2.C4H3F3N2.2CH4/c1-2-39(37,38)22-8-3-17(4-9-22)23(16-35)32-26(36)18-5-10-24-19(13-18)14-21(34(24)20-6-7-20)15-33-25(11-12-31-33)27(28,29)30;18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12;17-11-1-4-14-10(7-11)8-13(23(14)12-2-3-12)9-22-15(5-6-21-22)16(18,19)20;1-2-18-14(17)13-8-9-7-10(15)3-6-12(9)16(13)11-4-5-11;13-9-1-4-12-8(5-9)6-11(7-15)14(12)10-2-3-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10;5-4(6,7)3-1-2-8-9-3;;/h3-5,8-14,20,23,35H,2,6-7,15-16H2,1H3,(H,32,36);1,4-8,12H,2-3,9H2,(H,24,25);1,4-8,12H,2-3,9H2;3,6-8,11H,2,4-5H2,1H3;1,4-6,10,15H,2-3,7H2;3-6,13H,2H2,1H3;1-2H,(H,8,9);2*1H4/t23-;;;;;;;;/m0......../s1/i15D2;2*9D2;;7D2;;;;
InChIKeyVFDPMUFMJXHZGT-BSNPGIQJSA-N
MW2312.74 g/mol
LogP26.39
Rot. Bonds23

About 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole

5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 161281498) has the molecular formula C103H101Br4F12N15O11S and a molecular weight of 2312.74 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole
PubChem CID161281498
Molecular FormulaC103H101Br4F12N15O11S
Molecular Weight2312.74 g/mol
Exact Mass2307.46
IUPAC Name5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole
SMILESC.C.CCOC(=O)c1cc2cc(Br)ccc2[nH]1.CCOC(=O)c1cc2cc(Br)ccc2n1C1CC1.FC(F)(F)c1ccn[nH]1.[2H]C([2H])(O)c1cc2cc(Br)ccc2n1C1CC1.[2H]C([2H])(c1cc2cc(Br)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)O)ccc2n1C1CC1)n1nccc1C(F)(F)F
InChIInChI=1S/C27H27F3N4O4S.C17H14F3N3O2.C16H13BrF3N3.C14H14BrNO2.C12H12BrNO.C11H10BrNO2.C4H3F3N2.2CH4/c1-2-39(37,38)22-8-3-17(4-9-22)23(16-35)32-26(36)18-5-10-24-19(13-18)14-21(34(24)20-6-7-20)15-33-25(11-12-31-33)27(28,29)30;18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12;17-11-1-4-14-10(7-11)8-13(23(14)12-2-3-12)9-22-15(5-6-21-22)16(18,19)20;1-2-18-14(17)13-8-9-7-10(15)3-6-12(9)16(13)11-4-5-11;13-9-1-4-12-8(5-9)6-11(7-15)14(12)10-2-3-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10;5-4(6,7)3-1-2-8-9-3;;/h3-5,8-14,20,23,35H,2,6-7,15-16H2,1H3,(H,32,36);1,4-8,12H,2-3,9H2,(H,24,25);1,4-8,12H,2-3,9H2;3,6-8,11H,2,4-5H2,1H3;1,4-6,10,15H,2-3,7H2;3-6,13H,2H2,1H3;1-2H,(H,8,9);2*1H4/t23-;;;;;;;;/m0......../s1/i15D2;2*9D2;;7D2;;;;
InChIKeyVFDPMUFMJXHZGT-BSNPGIQJSA-N
XLogP26.39
TPSA316.18 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.74
LogP ≤ 526.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole (CID 161281498) is 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole is C.C.CCOC(=O)c1cc2cc(Br)ccc2[nH]1.CCOC(=O)c1cc2cc(Br)ccc2n1C1CC1.FC(F)(F)c1ccn[nH]1.[2H]C([2H])(O)c1cc2cc(Br)ccc2n1C1CC1.[2H]C([2H])(c1cc2cc(Br)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc2n1C1CC1)n1nccc1C(F)(F)F.[2H]C([2H])(c1cc2cc(C(=O)O)ccc2n1C1CC1)n1nccc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VFDPMUFMJXHZGT-BSNPGIQJSA-N. The full InChI is InChI=1S/C27H27F3N4O4S.C17H14F3N3O2.C16H13BrF3N3.C14H14BrNO2.C12H12BrNO.C11H10BrNO2.C4H3F3N2.2CH4/c1-2-39(37,38)22-8-3-17(4-9-22)23(16-35)32-26(36)18-5-10-24-19(13-18)14-21(34(24)20-6-7-20)15-33-25(11-12-31-33)27(28,29)30;18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12;17-11-1-4-14-10(7-11)8-13(23(14)12-2-3-12)9-22-15(5-6-21-22)16(18,19)20;1-2-18-14(17)13-8-9-7-10(15)3-6-12(9)16(13)11-4-5-11;13-9-1-4-12-8(5-9)6-11(7-15)14(12)10-2-3-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10;5-4(6,7)3-1-2-8-9-3;;/h3-5,8-14,20,23,35H,2,6-7,15-16H2,1H3,(H,32,36);1,4-8,12H,2-3,9H2,(H,24,25);1,4-8,12H,2-3,9H2;3,6-8,11H,2,4-5H2,1H3;1,4-6,10,15H,2-3,7H2;3-6,13H,2H2,1H3;1-2H,(H,8,9);2*1H4/t23-;;;;;;;;/m0......../s1/i15D2;2*9D2;;7D2;;;;.
What are the key properties of 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole?
5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 2312.74 g/mol, XLogP of 26.39, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 161281498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).