(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole

C80H80F15N13O11S2 — CID 159928707

IUPAC(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc([C@@H](N)CO)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cc3cc(Cn4nc(C)cc4C(F)(F)F)n(C4CC4)c3cc2F)cc1.COC(=O)c1cc2cc(Cn3nc(C)cc3C(F)(F)F)n(C3CC3)c2cc1F.Cc1cc(C(F)(F)F)n(Cc2cc3cc(C(=O)O)c(F)cc3n2C2CC2)n1.Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C28H28F4N4O4S.C19H17F4N3O2.C18H15F4N3O2.C10H15NO3S.C5H5F3N2/c1-3-41(39,40)21-8-4-17(5-9-21)24(15-37)33-27(38)22-12-18-11-20(36(19-6-7-19)25(18)13-23(22)29)14-35-26(28(30,31)32)10-16(2)34-35;1-10-5-17(19(21,22)23)25(24-10)9-13-6-11-7-14(18(27)28-2)15(20)8-16(11)26(13)12-3-4-12;1-9-4-16(18(20,21)22)24(23-9)8-12-5-10-6-13(17(26)27)14(19)7-15(10)25(12)11-2-3-11;1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12;1-3-2-4(10-9-3)5(6,7)8/h4-5,8-13,19,24,37H,3,6-7,14-15H2,1-2H3,(H,33,38);5-8,12H,3-4,9H2,1-2H3;4-7,11H,2-3,8H2,1H3,(H,26,27);3-6,10,12H,2,7,11H2,1H3;2H,1H3,(H,9,10)/t24-;;;10-;/m0..0./s1
InChIKeyNZIWXJWGYBUBIC-LIDAMWAUSA-N
MW1748.70 g/mol
LogP16.01
Rot. Bonds21

About (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole

(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 159928707) has the molecular formula C80H80F15N13O11S2 and a molecular weight of 1748.70 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID159928707
Molecular FormulaC80H80F15N13O11S2
Molecular Weight1748.70 g/mol
Exact Mass1747.53
IUPAC Name(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc([C@@H](N)CO)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cc3cc(Cn4nc(C)cc4C(F)(F)F)n(C4CC4)c3cc2F)cc1.COC(=O)c1cc2cc(Cn3nc(C)cc3C(F)(F)F)n(C3CC3)c2cc1F.Cc1cc(C(F)(F)F)n(Cc2cc3cc(C(=O)O)c(F)cc3n2C2CC2)n1.Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C28H28F4N4O4S.C19H17F4N3O2.C18H15F4N3O2.C10H15NO3S.C5H5F3N2/c1-3-41(39,40)21-8-4-17(5-9-21)24(15-37)33-27(38)22-12-18-11-20(36(19-6-7-19)25(18)13-23(22)29)14-35-26(28(30,31)32)10-16(2)34-35;1-10-5-17(19(21,22)23)25(24-10)9-13-6-11-7-14(18(27)28-2)15(20)8-16(11)26(13)12-3-4-12;1-9-4-16(18(20,21)22)24(23-9)8-12-5-10-6-13(17(26)27)14(19)7-15(10)25(12)11-2-3-11;1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12;1-3-2-4(10-9-3)5(6,7)8/h4-5,8-13,19,24,37H,3,6-7,14-15H2,1-2H3,(H,33,38);5-8,12H,3-4,9H2,1-2H3;4-7,11H,2-3,8H2,1H3,(H,26,27);3-6,10,12H,2,7,11H2,1H3;2H,1H3,(H,9,10)/t24-;;;10-;/m0..0./s1
InChIKeyNZIWXJWGYBUBIC-LIDAMWAUSA-N
XLogP16.01
TPSA324.39 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001748.70
LogP ≤ 516.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole (CID 159928707) is (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole is CCS(=O)(=O)c1ccc([C@@H](N)CO)cc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cc3cc(Cn4nc(C)cc4C(F)(F)F)n(C4CC4)c3cc2F)cc1.COC(=O)c1cc2cc(Cn3nc(C)cc3C(F)(F)F)n(C3CC3)c2cc1F.Cc1cc(C(F)(F)F)n(Cc2cc3cc(C(=O)O)c(F)cc3n2C2CC2)n1.Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NZIWXJWGYBUBIC-LIDAMWAUSA-N. The full InChI is InChI=1S/C28H28F4N4O4S.C19H17F4N3O2.C18H15F4N3O2.C10H15NO3S.C5H5F3N2/c1-3-41(39,40)21-8-4-17(5-9-21)24(15-37)33-27(38)22-12-18-11-20(36(19-6-7-19)25(18)13-23(22)29)14-35-26(28(30,31)32)10-16(2)34-35;1-10-5-17(19(21,22)23)25(24-10)9-13-6-11-7-14(18(27)28-2)15(20)8-16(11)26(13)12-3-4-12;1-9-4-16(18(20,21)22)24(23-9)8-12-5-10-6-13(17(26)27)14(19)7-15(10)25(12)11-2-3-11;1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12;1-3-2-4(10-9-3)5(6,7)8/h4-5,8-13,19,24,37H,3,6-7,14-15H2,1-2H3,(H,33,38);5-8,12H,3-4,9H2,1-2H3;4-7,11H,2-3,8H2,1H3,(H,26,27);3-6,10,12H,2,7,11H2,1H3;2H,1H3,(H,9,10)/t24-;;;10-;/m0..0./s1.
What are the key properties of (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 1748.70 g/mol, XLogP of 16.01, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159928707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).