2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide

C24H20F3N5O2 — CID 55840563

IUPAC2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-14-21(15(2)32(31-14)19-5-3-4-18(12-19)24(25,26)27)22(33)23(34)28-13-16-6-8-17(9-7-16)20-10-11-29-30-20/h3-12H,13H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyXARJPLIJHWWJHG-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.40
Rot. Bonds6

About 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 55840563) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
PubChem CID55840563
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-14-21(15(2)32(31-14)19-5-3-4-18(12-19)24(25,26)27)22(33)23(34)28-13-16-6-8-17(9-7-16)20-10-11-29-30-20/h3-12H,13H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyXARJPLIJHWWJHG-UHFFFAOYSA-N
XLogP4.40
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 24538405
3-[[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetyl]amino]methyl]-N-methylbenzamide
CID 46592748
N-[(2,5-dimethoxyphenyl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46542117
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-oxoacetamide
CID 24549114
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
CID 7131608
N-[2-(benzenesulfonyl)ethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 55733995
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30184876
N-[3-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetyl]amino]phenyl]-2-methylpropanamide
CID 55609809
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetohydrazide
CID 51558538
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(3-sulfamoylphenyl)acetamide
CID 27005890

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide (CID 55840563) is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is XARJPLIJHWWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14-21(15(2)32(31-14)19-5-3-4-18(12-19)24(25,26)27)22(33)23(34)28-13-16-6-8-17(9-7-16)20-10-11-29-30-20/h3-12H,13H2,1-2H3,(H,28,34)(H,29,30).
What are the key properties of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 55840563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).