2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C17H11BrF3N3O — CID 84565043

IUPAC2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H11BrF3N3O/c18-12-9-5-4-8-11(12)16(25)22-15-13(10-6-2-1-3-7-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25)
InChIKeyBIZQBHXZCATDPR-UHFFFAOYSA-N
MW410.19 g/mol
LogP5.11
Rot. Bonds3

About 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 84565043) has the molecular formula C17H11BrF3N3O and a molecular weight of 410.19 g/mol. Its IUPAC name is 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID84565043
Molecular FormulaC17H11BrF3N3O
Molecular Weight410.19 g/mol
Exact Mass409.00
IUPAC Name2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H11BrF3N3O/c18-12-9-5-4-8-11(12)16(25)22-15-13(10-6-2-1-3-7-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25)
InChIKeyBIZQBHXZCATDPR-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.19
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565044
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 84565030
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
(E)-3-(3,4-dimethoxyphenyl)-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-enamide
CID 84565685
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
2-bromo-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
CID 11988401
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide
CID 132590615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 84565043) is 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is BIZQBHXZCATDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N3O/c18-12-9-5-4-8-11(12)16(25)22-15-13(10-6-2-1-3-7-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25).
What are the key properties of 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 410.19 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 84565043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).