N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C98H100N14O8 — CID 160380191

IUPACN-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESCC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)CCCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NCCC5=CC=C(C=C5)O.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NC(C5=CC=C(C=C5)O)C(=O)N
InChIInChI=1S/C33H31N5O3.C33H32N4O2.C32H37N5O3/c1-33(2,3)24-13-15-25(16-14-24)38-29(20-28(37-38)27-6-4-5-19-35-27)21-7-9-23(10-8-21)32(41)36-30(31(34)40)22-11-17-26(39)18-12-22;1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23;1-22(2)24-13-15-25(16-14-24)37-26(21-29(36-37)28-9-6-7-19-34-28)8-4-3-5-10-31(39)35-30(32(33)40)20-23-11-17-27(38)18-12-23/h4-20,30,39H,1-3H3,(H2,34,40)(H,36,41);4-18,20,22,38H,19,21H2,1-3H3,(H,35,39);6-7,9,11-19,21-22,30,38H,3-5,8,10,20H2,1-2H3,(H2,33,40)(H,35,39)
InChIKeyQCUADAYNVOIKHZ-UHFFFAOYSA-N
MW1601.90 g/mol
LogP—
Rot. Bonds29

About N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 160380191) has the molecular formula C98H100N14O8 and a molecular weight of 1601.90 g/mol. Its IUPAC name is N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID160380191
Molecular FormulaC98H100N14O8
Molecular Weight1601.90 g/mol
Exact Mass1601.79
IUPAC NameN-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESCC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)CCCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NCCC5=CC=C(C=C5)O.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NC(C5=CC=C(C=C5)O)C(=O)N
InChIInChI=1S/C33H31N5O3.C33H32N4O2.C32H37N5O3/c1-33(2,3)24-13-15-25(16-14-24)38-29(20-28(37-38)27-6-4-5-19-35-27)21-7-9-23(10-8-21)32(41)36-30(31(34)40)22-11-17-26(39)18-12-22;1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23;1-22(2)24-13-15-25(16-14-24)37-26(21-29(36-37)28-9-6-7-19-34-28)8-4-3-5-10-31(39)35-30(32(33)40)20-23-11-17-27(38)18-12-23/h4-20,30,39H,1-3H3,(H2,34,40)(H,36,41);4-18,20,22,38H,19,21H2,1-3H3,(H,35,39);6-7,9,11-19,21-22,30,38H,3-5,8,10,20H2,1-2H3,(H2,33,40)(H,35,39)
InChIKeyQCUADAYNVOIKHZ-UHFFFAOYSA-N
XLogP—
TPSA326.00 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms120
Complexity2410

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 160380191) is N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide is CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)CCCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NCCC5=CC=C(C=C5)O.CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)NC(C5=CC=C(C=C5)O)C(=O)N.
What is the InChIKey of N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is QCUADAYNVOIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O3.C33H32N4O2.C32H37N5O3/c1-33(2,3)24-13-15-25(16-14-24)38-29(20-28(37-38)27-6-4-5-19-35-27)21-7-9-23(10-8-21)32(41)36-30(31(34)40)22-11-17-26(39)18-12-22;1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23;1-22(2)24-13-15-25(16-14-24)37-26(21-29(36-37)28-9-6-7-19-34-28)8-4-3-5-10-31(39)35-30(32(33)40)20-23-11-17-27(38)18-12-23/h4-20,30,39H,1-3H3,(H2,34,40)(H,36,41);4-18,20,22,38H,19,21H2,1-3H3,(H,35,39);6-7,9,11-19,21-22,30,38H,3-5,8,10,20H2,1-2H3,(H2,33,40)(H,35,39).
What are the key properties of N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 1601.90 g/mol, XLogP of not available, 29 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 160380191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).