2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide

C36H44F3N5O2 — CID 67434932

IUPAC2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)C(C)(C)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1)c1ccccc1
InChIInChI=1S/C36H44F3N5O2/c1-34(2,26-10-6-5-7-11-26)41-33(46)35(3,4)43-20-17-27(18-21-43)44-31(24-14-15-24)29(22-40-44)32(45)42-19-16-25(23-42)28-12-8-9-13-30(28)36(37,38)39/h5-13,22,24-25,27H,14-21,23H2,1-4H3,(H,41,46)/t25-/m1/s1
InChIKeyMBWXYPPXRKBQRJ-RUZDIDTESA-N
MW635.78 g/mol
LogP6.88
Rot. Bonds8

About 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide

2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide (PubChem CID 67434932) has the molecular formula C36H44F3N5O2 and a molecular weight of 635.78 g/mol. Its IUPAC name is 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
PubChem CID67434932
Molecular FormulaC36H44F3N5O2
Molecular Weight635.78 g/mol
Exact Mass635.34
IUPAC Name2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)C(C)(C)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1)c1ccccc1
InChIInChI=1S/C36H44F3N5O2/c1-34(2,26-10-6-5-7-11-26)41-33(46)35(3,4)43-20-17-27(18-21-43)44-31(24-14-15-24)29(22-40-44)32(45)42-19-16-25(23-42)28-12-8-9-13-30(28)36(37,38)39/h5-13,22,24-25,27H,14-21,23H2,1-4H3,(H,41,46)/t25-/m1/s1
InChIKeyMBWXYPPXRKBQRJ-RUZDIDTESA-N
XLogP6.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.78
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)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-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The IUPAC name of 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide (CID 67434932) is 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The canonical SMILES for 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide is CC(C)(NC(=O)C(C)(C)N1CCC(n2ncc(C(=O)N3CC[C@@H](c4ccccc4C(F)(F)F)C3)c2C2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The InChIKey is MBWXYPPXRKBQRJ-RUZDIDTESA-N. The full InChI is InChI=1S/C36H44F3N5O2/c1-34(2,26-10-6-5-7-11-26)41-33(46)35(3,4)43-20-17-27(18-21-43)44-31(24-14-15-24)29(22-40-44)32(45)42-19-16-25(23-42)28-12-8-9-13-30(28)36(37,38)39/h5-13,22,24-25,27H,14-21,23H2,1-4H3,(H,41,46)/t25-/m1/s1.
What are the key properties of 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide has a molecular weight of 635.78 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 67434932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).