4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide

C11H7BrF3N3O — CID 54910433

IUPAC4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-n2cc(Br)cn2)cc1C(F)(F)F
InChIInChI=1S/C11H7BrF3N3O/c12-6-4-17-18(5-6)7-1-2-8(10(16)19)9(3-7)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyVNUACQCNNPQCRB-UHFFFAOYSA-N
MW334.10 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide

4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide (PubChem CID 54910433) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
PubChem CID54910433
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC Name4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-n2cc(Br)cn2)cc1C(F)(F)F
InChIInChI=1S/C11H7BrF3N3O/c12-6-4-17-18(5-6)7-1-2-8(10(16)19)9(3-7)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyVNUACQCNNPQCRB-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-7-(4-bromopyrazol-1-yl)-2H-isoquinolin-1-one
CID 134330986
1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-one
CID 12238134
3-fluoro-4-(1H-pyrazol-1-yl)benzaldehyde
CID 16227922
4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)benzaldehyde
CID 39870308
4-[[3-(4-Bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide
CID 4865187
N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide
CID 19564606
3-(4-bromopyrazol-1-yl)-N-ethoxybenzamide
CID 47451879
1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
CID 61631537
2-methyl-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzaldehyde
CID 55038526
3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzamide
CID 60873839
4-(4-chloro-1H-pyrazol-1-yl)-2-methylbenzaldehyde
CID 62136446
2-methyl-4-(3-methyl-1H-pyrazol-1-yl)benzaldehyde
CID 62489314

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide (CID 54910433) is 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(-n2cc(Br)cn2)cc1C(F)(F)F.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is VNUACQCNNPQCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-6-4-17-18(5-6)7-1-2-8(10(16)19)9(3-7)11(13,14)15/h1-5H,(H2,16,19).
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 334.10 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 54910433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).