(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide

C25H25F5N4O3 — CID 70914152

IUPAC(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)nn1C
InChIInChI=1S/C25H25F5N4O3/c1-13(31-23(37)21(35)14-5-7-15(8-6-14)25(28,29)30)22(36)32-20-12-19(33-34(20)4)24(2,3)16-9-17(26)11-18(27)10-16/h5-13,21,35H,1-4H3,(H,31,37)(H,32,36)/t13-,21-/m0/s1
InChIKeyZDOIVPGFBVGOSP-ZSEKCTLFSA-N
MW524.49 g/mol
LogP4.22
Rot. Bonds7

About (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide

(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide (PubChem CID 70914152) has the molecular formula C25H25F5N4O3 and a molecular weight of 524.49 g/mol. Its IUPAC name is (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
PubChem CID70914152
Molecular FormulaC25H25F5N4O3
Molecular Weight524.49 g/mol
Exact Mass524.18
IUPAC Name(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)nn1C
InChIInChI=1S/C25H25F5N4O3/c1-13(31-23(37)21(35)14-5-7-15(8-6-14)25(28,29)30)22(36)32-20-12-19(33-34(20)4)24(2,3)16-9-17(26)11-18(27)10-16/h5-13,21,35H,1-4H3,(H,31,37)(H,32,36)/t13-,21-/m0/s1
InChIKeyZDOIVPGFBVGOSP-ZSEKCTLFSA-N
XLogP4.22
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.49
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]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 (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide (CID 70914152) is (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide is C[C@H](NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)nn1C.
What is the InChIKey of (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The InChIKey is ZDOIVPGFBVGOSP-ZSEKCTLFSA-N. The full InChI is InChI=1S/C25H25F5N4O3/c1-13(31-23(37)21(35)14-5-7-15(8-6-14)25(28,29)30)22(36)32-20-12-19(33-34(20)4)24(2,3)16-9-17(26)11-18(27)10-16/h5-13,21,35H,1-4H3,(H,31,37)(H,32,36)/t13-,21-/m0/s1.
What are the key properties of (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
(2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide has a molecular weight of 524.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[2-(3,5-difluorophenyl)propan-2-yl]-1-methylpyrazol-5-yl]-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 70914152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).