N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C23H21F3N4O3 — CID 55503557

IUPACN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H21F3N4O3/c1-15-12-20(30(28-15)18-5-2-4-16(13-18)23(24,25)26)27-21(31)14-33-19-9-7-17(8-10-19)29-11-3-6-22(29)32/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,27,31)
InChIKeyZJKJMXHXBOOOQK-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.34
Rot. Bonds6

About N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 55503557) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID55503557
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H21F3N4O3/c1-15-12-20(30(28-15)18-5-2-4-16(13-18)23(24,25)26)27-21(31)14-33-19-9-7-17(8-10-19)29-11-3-6-22(29)32/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,27,31)
InChIKeyZJKJMXHXBOOOQK-UHFFFAOYSA-N
XLogP4.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 46628924
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758389
1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55519076
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574732
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55610863
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 55503557) is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is ZJKJMXHXBOOOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-15-12-20(30(28-15)18-5-2-4-16(13-18)23(24,25)26)27-21(31)14-33-19-9-7-17(8-10-19)29-11-3-6-22(29)32/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,27,31).
What are the key properties of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 458.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 55503557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).