2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide

C22H23F3N4O2 — CID 126740640

IUPAC2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OCC(F)(F)F)cn3)n2)cc1
InChIInChI=1S/C22H23F3N4O2/c1-15(2)17-5-3-16(4-6-17)11-21(30)27-20-9-10-29(28-20)13-18-7-8-19(12-26-18)31-14-22(23,24)25/h3-10,12,15H,11,13-14H2,1-2H3,(H,27,28,30)
InChIKeyCMBMZOWHIVIDMP-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.57
Rot. Bonds8

About 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide

2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide (PubChem CID 126740640) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
PubChem CID126740640
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OCC(F)(F)F)cn3)n2)cc1
InChIInChI=1S/C22H23F3N4O2/c1-15(2)17-5-3-16(4-6-17)11-21(30)27-20-9-10-29(28-20)13-18-7-8-19(12-26-18)31-14-22(23,24)25/h3-10,12,15H,11,13-14H2,1-2H3,(H,27,28,30)
InChIKeyCMBMZOWHIVIDMP-UHFFFAOYSA-N
XLogP4.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
CID 118560470
N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560789
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740685
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67743465
N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740639
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 126740614
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide (CID 126740640) is 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide is CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OCC(F)(F)F)cn3)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide?
The InChIKey is CMBMZOWHIVIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-15(2)17-5-3-16(4-6-17)11-21(30)27-20-9-10-29(28-20)13-18-7-8-19(12-26-18)31-14-22(23,24)25/h3-10,12,15H,11,13-14H2,1-2H3,(H,27,28,30).
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide?
2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide has a molecular weight of 432.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 126740640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).