5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

C26H27F3N4O5 — CID 123913315

IUPAC5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
SMILESNC(=O)c1cc(-c2cnn(CCO)c2)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H27F3N4O5/c27-26(28,29)38-21-4-1-17(2-5-21)13-24(35)32-9-7-20(8-10-32)37-23-6-3-18(14-22(23)25(30)36)19-15-31-33(16-19)11-12-34/h1-6,14-16,20,34H,7-13H2,(H2,30,36)
InChIKeyPIPMQOSILDELQY-UHFFFAOYSA-N
MW532.52 g/mol
LogP3.15
Rot. Bonds9

About 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (PubChem CID 123913315) has the molecular formula C26H27F3N4O5 and a molecular weight of 532.52 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
PubChem CID123913315
Molecular FormulaC26H27F3N4O5
Molecular Weight532.52 g/mol
Exact Mass532.19
IUPAC Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
SMILESNC(=O)c1cc(-c2cnn(CCO)c2)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H27F3N4O5/c27-26(28,29)38-21-4-1-17(2-5-21)13-24(35)32-9-7-20(8-10-32)37-23-6-3-18(14-22(23)25(30)36)19-15-31-33(16-19)11-12-34/h1-6,14-16,20,34H,7-13H2,(H2,30,36)
InChIKeyPIPMQOSILDELQY-UHFFFAOYSA-N
XLogP3.15
TPSA119.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide 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 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (CID 123913315) is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is NC(=O)c1cc(-c2cnn(CCO)c2)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?
The InChIKey is PIPMQOSILDELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O5/c27-26(28,29)38-21-4-1-17(2-5-21)13-24(35)32-9-7-20(8-10-32)37-23-6-3-18(14-22(23)25(30)36)19-15-31-33(16-19)11-12-34/h1-6,14-16,20,34H,7-13H2,(H2,30,36).
What are the key properties of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?
5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide has a molecular weight of 532.52 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 123913315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).