N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C25H27F3N4O3 — CID 11684545

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H27F3N4O3/c1-31-22(7-8-29-31)21-17-20(5-6-23(21)35-14-11-32-9-12-34-13-10-32)30-24(33)16-18-3-2-4-19(15-18)25(26,27)28/h2-8,15,17H,9-14,16H2,1H3,(H,30,33)
InChIKeyXHXMQSPBUDVSJW-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.00
Rot. Bonds8

About N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 11684545) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID11684545
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H27F3N4O3/c1-31-22(7-8-29-31)21-17-20(5-6-23(21)35-14-11-32-9-12-34-13-10-32)30-24(33)16-18-3-2-4-19(15-18)25(26,27)28/h2-8,15,17H,9-14,16H2,1H3,(H,30,33)
InChIKeyXHXMQSPBUDVSJW-UHFFFAOYSA-N
XLogP4.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]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-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 11684545) is N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cn1nccc1-c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XHXMQSPBUDVSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-31-22(7-8-29-31)21-17-20(5-6-23(21)35-14-11-32-9-12-34-13-10-32)30-24(33)16-18-3-2-4-19(15-18)25(26,27)28/h2-8,15,17H,9-14,16H2,1H3,(H,30,33).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 488.51 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11684545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).