N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

C26H22F3N3O2 — CID 11081101

IUPACN,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-31(2)24(33)15-19-17-32(21-8-6-7-20(16-21)26(27,28)29)30-25(19)18-11-13-23(14-12-18)34-22-9-4-3-5-10-22/h3-14,16-17H,15H2,1-2H3
InChIKeyCDLAJHMJEMVWJH-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.98
Rot. Bonds6

About N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 11081101) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID11081101
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-31(2)24(33)15-19-17-32(21-8-6-7-20(16-21)26(27,28)29)30-25(19)18-11-13-23(14-12-18)34-22-9-4-3-5-10-22/h3-14,16-17H,15H2,1-2H3
InChIKeyCDLAJHMJEMVWJH-UHFFFAOYSA-N
XLogP5.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 3646870
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-nitrobenzamide
CID 2091029
3-[4-(difluoromethoxy)phenyl]-N-(4-methylpiperazin-1-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 16195889
1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3-carboxamide
CID 49866006
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145966690
N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909187
4-fluoro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 70688464
US10138229, Example 63
CID 73051164
(5Z)-5-((3-(3-Fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 6036158
3-(4-methoxyphenyl)-N,1-diphenyl-1H-pyrazole-4-carboxamide
CID 1206526

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (CID 11081101) is N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is CDLAJHMJEMVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-31(2)24(33)15-19-17-32(21-8-6-7-20(16-21)26(27,28)29)30-25(19)18-11-13-23(14-12-18)34-22-9-4-3-5-10-22/h3-14,16-17H,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 465.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(4-phenoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 11081101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).