4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

C22H17ClF3N5O — CID 59632987

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClF3N5O/c1-30(13-20-27-10-11-28-20)21(32)15-8-6-14(7-9-15)18-12-19(22(24,25)26)29-31(18)17-5-3-2-4-16(17)23/h2-12H,13H2,1H3,(H,27,28)
InChIKeyUTCWSNVNJMHHHK-UHFFFAOYSA-N
MW459.86 g/mol
LogP5.21
Rot. Bonds5

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (PubChem CID 59632987) has the molecular formula C22H17ClF3N5O and a molecular weight of 459.86 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
PubChem CID59632987
Molecular FormulaC22H17ClF3N5O
Molecular Weight459.86 g/mol
Exact Mass459.11
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClF3N5O/c1-30(13-20-27-10-11-28-20)21(32)15-8-6-14(7-9-15)18-12-19(22(24,25)26)29-31(18)17-5-3-2-4-16(17)23/h2-12H,13H2,1H3,(H,27,28)
InChIKeyUTCWSNVNJMHHHK-UHFFFAOYSA-N
XLogP5.21
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-4-ylbenzamide
CID 59633136
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 68656629
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
CID 59632981
3-(dimethylamino)propyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 59632671
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
CID 68656832
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 59632907
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 59632992
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 59631786
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide
CID 68655922
2-propylsulfanylethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68656079
2-(4-methylphenyl)sulfonylethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68656318

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (CID 59632987) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The InChIKey is UTCWSNVNJMHHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O/c1-30(13-20-27-10-11-28-20)21(32)15-8-6-14(7-9-15)18-12-19(22(24,25)26)29-31(18)17-5-3-2-4-16(17)23/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide has a molecular weight of 459.86 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 59632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).