2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C25H27F4N3O2 — CID 70816331

IUPAC2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2ccc(CCO)c(F)c2)c1
InChIInChI=1S/C25H27F4N3O2/c1-15(2)18-5-4-6-20(11-18)32-21(13-23(31-32)25(27,28)29)14-30-24(34)16(3)19-8-7-17(9-10-33)22(26)12-19/h4-8,11-13,15-16,33H,9-10,14H2,1-3H3,(H,30,34)
InChIKeyVKEXSUFTMBHDFU-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.11
Rot. Bonds8

About 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 70816331) has the molecular formula C25H27F4N3O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID70816331
Molecular FormulaC25H27F4N3O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC Name2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2ccc(CCO)c(F)c2)c1
InChIInChI=1S/C25H27F4N3O2/c1-15(2)18-5-4-6-20(11-18)32-21(13-23(31-32)25(27,28)29)14-30-24(34)16(3)19-8-7-17(9-10-33)22(26)12-19/h4-8,11-13,15-16,33H,9-10,14H2,1-3H3,(H,30,34)
InChIKeyVKEXSUFTMBHDFU-UHFFFAOYSA-N
XLogP5.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide 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 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 70816331) is 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2ccc(CCO)c(F)c2)c1.
What is the InChIKey of 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is VKEXSUFTMBHDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O2/c1-15(2)18-5-4-6-20(11-18)32-21(13-23(31-32)25(27,28)29)14-30-24(34)16(3)19-8-7-17(9-10-33)22(26)12-19/h4-8,11-13,15-16,33H,9-10,14H2,1-3H3,(H,30,34).
What are the key properties of 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 477.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 70816331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).