3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide

C23H20F3N5O2 — CID 46899010

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F3N5O2/c1-13-11-31(12-27-13)18-8-7-16(10-19(18)33-3)22(32)28-21-20(14(2)29-30-21)15-5-4-6-17(9-15)23(24,25)26/h4-12H,1-3H3,(H2,28,29,30,32)
InChIKeyJIDRJKYONDBPJT-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.16
Rot. Bonds5

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 46899010) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID46899010
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F3N5O2/c1-13-11-31(12-27-13)18-8-7-16(10-19(18)33-3)22(32)28-21-20(14(2)29-30-21)15-5-4-6-17(9-15)23(24,25)26/h4-12H,1-3H3,(H2,28,29,30,32)
InChIKeyJIDRJKYONDBPJT-UHFFFAOYSA-N
XLogP5.16
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(1Z)-8-methyl-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-triazonin-9-yl]benzamide
CID 123251724
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
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CID 72543944
N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 72945923
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide (CID 46899010) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide is COc1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is JIDRJKYONDBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-13-11-31(12-27-13)18-8-7-16(10-19(18)33-3)22(32)28-21-20(14(2)29-30-21)15-5-4-6-17(9-15)23(24,25)26/h4-12H,1-3H3,(H2,28,29,30,32).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 455.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 46899010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).