N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C25H27F3N4O3 — CID 24816267

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCn1nccc1-c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1
InChIInChI=1S/C25H27F3N4O3/c1-31-22(10-11-29-31)21-16-19(6-9-23(21)34-15-14-32-12-2-3-13-32)30-24(33)17-35-20-7-4-18(5-8-20)25(26,27)28/h4-11,16H,2-3,12-15,17H2,1H3,(H,30,33)
InChIKeyCNQFJTGJIHJAPB-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.60
Rot. Bonds9

About N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 24816267) 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-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID24816267
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCn1nccc1-c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1
InChIInChI=1S/C25H27F3N4O3/c1-31-22(10-11-29-31)21-16-19(6-9-23(21)34-15-14-32-12-2-3-13-32)30-24(33)17-35-20-7-4-18(5-8-20)25(26,27)28/h4-11,16H,2-3,12-15,17H2,1H3,(H,30,33)
InChIKeyCNQFJTGJIHJAPB-UHFFFAOYSA-N
XLogP4.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 68887718
2-(4-cyanophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 24816340
3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline;N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 160777885
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
2-(4-acetylphenoxy)-N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 68887157
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
2-(2-fluorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68849489
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486672
N-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66928275

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 24816267) is N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cn1nccc1-c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CNQFJTGJIHJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-31-22(10-11-29-31)21-16-19(6-9-23(21)34-15-14-32-12-2-3-13-32)30-24(33)17-35-20-7-4-18(5-8-20)25(26,27)28/h4-11,16H,2-3,12-15,17H2,1H3,(H,30,33).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 488.51 g/mol, XLogP of 4.60, 9 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-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 24816267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).