(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide

C112H101F22N33O15 — CID 158929419

IUPAC(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1.CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CNc1ncn[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(-c2ccc(F)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.N#Cc1ccc(NC(=O)CCn2cc(F)cn2)cc1C(F)(F)F
InChIInChI=1S/C21H16F4N4O2.C20H22F3N5O4.C15H12F4N4O.C15H14F3N5O2.C14H10F4N4O.C14H13F3N6O2.C13H14FN5O3/c1-20(31,12-29-11-15(10-27-29)13-2-5-16(22)6-3-13)19(30)28-17-7-4-14(9-26)18(8-17)21(23,24)25;1-18(2,3)32-17(30)27-14-9-25-28(10-14)11-19(4,31)16(29)26-13-6-5-12(8-24)15(7-13)20(21,22)23;1-9(7-23-8-11(16)6-21-23)14(24)22-12-3-2-10(5-20)13(4-12)15(17,18)19;1-14(25,8-23-7-10(20)6-21-23)13(24)22-11-3-2-9(5-19)12(4-11)15(16,17)18;15-10-7-20-22(8-10)4-3-13(23)21-11-2-1-9(6-19)12(5-11)14(16,17)18;1-13(25,6-19-12-20-7-21-23-12)11(24)22-9-3-2-8(5-18)10(4-9)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-8,10-11,31H,12H2,1H3,(H,28,30);5-7,9-10,31H,11H2,1-4H3,(H,26,29)(H,27,30);2-4,6,8-9H,7H2,1H3,(H,22,24);2-4,6-7,25H,8,20H2,1H3,(H,22,24);1-2,5,7-8H,3-4H2,(H,21,23);2-4,7,25H,6H2,1H3,(H,22,24)(H2,19,20,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t20-;19-;;14-;;2*13-/m00.0.00/s1
InChIKeyJIVXPEYIWORCKO-XWKMHODFSA-N
MW2567.21 g/mol
LogP16.76
Rot. Bonds32

About (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide

(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 158929419) has the molecular formula C112H101F22N33O15 and a molecular weight of 2567.21 g/mol. Its IUPAC name is (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
PubChem CID158929419
Molecular FormulaC112H101F22N33O15
Molecular Weight2567.21 g/mol
Exact Mass2565.78
IUPAC Name(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1.CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CNc1ncn[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(-c2ccc(F)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.N#Cc1ccc(NC(=O)CCn2cc(F)cn2)cc1C(F)(F)F
InChIInChI=1S/C21H16F4N4O2.C20H22F3N5O4.C15H12F4N4O.C15H14F3N5O2.C14H10F4N4O.C14H13F3N6O2.C13H14FN5O3/c1-20(31,12-29-11-15(10-27-29)13-2-5-16(22)6-3-13)19(30)28-17-7-4-14(9-26)18(8-17)21(23,24)25;1-18(2,3)32-17(30)27-14-9-25-28(10-14)11-19(4,31)16(29)26-13-6-5-12(8-24)15(7-13)20(21,22)23;1-9(7-23-8-11(16)6-21-23)14(24)22-12-3-2-10(5-20)13(4-12)15(17,18)19;1-14(25,8-23-7-10(20)6-21-23)13(24)22-11-3-2-9(5-19)12(4-11)15(16,17)18;15-10-7-20-22(8-10)4-3-13(23)21-11-2-1-9(6-19)12(5-11)14(16,17)18;1-13(25,6-19-12-20-7-21-23-12)11(24)22-9-3-2-8(5-18)10(4-9)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-8,10-11,31H,12H2,1H3,(H,28,30);5-7,9-10,31H,11H2,1-4H3,(H,26,29)(H,27,30);2-4,6,8-9H,7H2,1H3,(H,22,24);2-4,6-7,25H,8,20H2,1H3,(H,22,24);1-2,5,7-8H,3-4H2,(H,21,23);2-4,7,25H,6H2,1H3,(H,22,24)(H2,19,20,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t20-;19-;;14-;;2*13-/m00.0.00/s1
InChIKeyJIVXPEYIWORCKO-XWKMHODFSA-N
XLogP16.76
TPSA728.44 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.21
LogP ≤ 516.76
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Analyze (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide (CID 158929419) is (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide is CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1.CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(CNc1ncn[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(-c2ccc(F)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C(N)=O)nc1.C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.N#Cc1ccc(NC(=O)CCn2cc(F)cn2)cc1C(F)(F)F.
What is the InChIKey of (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is JIVXPEYIWORCKO-XWKMHODFSA-N. The full InChI is InChI=1S/C21H16F4N4O2.C20H22F3N5O4.C15H12F4N4O.C15H14F3N5O2.C14H10F4N4O.C14H13F3N6O2.C13H14FN5O3/c1-20(31,12-29-11-15(10-27-29)13-2-5-16(22)6-3-13)19(30)28-17-7-4-14(9-26)18(8-17)21(23,24)25;1-18(2,3)32-17(30)27-14-9-25-28(10-14)11-19(4,31)16(29)26-13-6-5-12(8-24)15(7-13)20(21,22)23;1-9(7-23-8-11(16)6-21-23)14(24)22-12-3-2-10(5-20)13(4-12)15(17,18)19;1-14(25,8-23-7-10(20)6-21-23)13(24)22-11-3-2-9(5-19)12(4-11)15(16,17)18;15-10-7-20-22(8-10)4-3-13(23)21-11-2-1-9(6-19)12(5-11)14(16,17)18;1-13(25,6-19-12-20-7-21-23-12)11(24)22-9-3-2-8(5-18)10(4-9)14(15,16)17;1-13(22,7-19-6-8(14)4-17-19)12(21)18-9-2-3-10(11(15)20)16-5-9/h2-8,10-11,31H,12H2,1H3,(H,28,30);5-7,9-10,31H,11H2,1-4H3,(H,26,29)(H,27,30);2-4,6,8-9H,7H2,1H3,(H,22,24);2-4,6-7,25H,8,20H2,1H3,(H,22,24);1-2,5,7-8H,3-4H2,(H,21,23);2-4,7,25H,6H2,1H3,(H,22,24)(H2,19,20,21,23);2-6,22H,7H2,1H3,(H2,15,20)(H,18,21)/t20-;19-;;14-;;2*13-/m00.0.00/s1.
What are the key properties of (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide?
(2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 2567.21 g/mol, XLogP of 16.76, 32 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-aminopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide;N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1H-1,2,4-triazol-5-ylamino)propanamide;5-[[(2S)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 158929419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).