N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide

C34H36FN3O2 — CID 89004496

IUPACN-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide
SMILESC=C1CC[C@H](CC(NC(=O)Cc2cccc(O)c2)c2ccccc2)[C@@]1(C)Cc1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C34H36FN3O2/c1-23-12-13-28(34(23,3)21-27-22-36-38(24(27)2)30-16-14-29(35)15-17-30)20-32(26-9-5-4-6-10-26)37-33(40)19-25-8-7-11-31(39)18-25/h4-11,14-18,22,28,32,39H,1,12-13,19-21H2,2-3H3,(H,37,40)/t28-,32?,34+/m1/s1
InChIKeyQZTUVNKIZFLNSU-MFVYMYFASA-N
MW537.68 g/mol
LogP7.03
Rot. Bonds9

About N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide

N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 89004496) has the molecular formula C34H36FN3O2 and a molecular weight of 537.68 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID89004496
Molecular FormulaC34H36FN3O2
Molecular Weight537.68 g/mol
Exact Mass537.28
IUPAC NameN-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide
SMILESC=C1CC[C@H](CC(NC(=O)Cc2cccc(O)c2)c2ccccc2)[C@@]1(C)Cc1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C34H36FN3O2/c1-23-12-13-28(34(23,3)21-27-22-36-38(24(27)2)30-16-14-29(35)15-17-30)20-32(26-9-5-4-6-10-26)37-33(40)19-25-8-7-11-31(39)18-25/h4-11,14-18,22,28,32,39H,1,12-13,19-21H2,2-3H3,(H,37,40)/t28-,32?,34+/m1/s1
InChIKeyQZTUVNKIZFLNSU-MFVYMYFASA-N
XLogP7.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.68
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide (CID 89004496) is N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide is C=C1CC[C@H](CC(NC(=O)Cc2cccc(O)c2)c2ccccc2)[C@@]1(C)Cc1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is QZTUVNKIZFLNSU-MFVYMYFASA-N. The full InChI is InChI=1S/C34H36FN3O2/c1-23-12-13-28(34(23,3)21-27-22-36-38(24(27)2)30-16-14-29(35)15-17-30)20-32(26-9-5-4-6-10-26)37-33(40)19-25-8-7-11-31(39)18-25/h4-11,14-18,22,28,32,39H,1,12-13,19-21H2,2-3H3,(H,37,40)/t28-,32?,34+/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide?
N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 537.68 g/mol, XLogP of 7.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3-methylidenecyclopentyl]-1-phenylethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 89004496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).