5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H12BrF3N4O — CID 129247785

IUPAC5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Br)cc2)nn(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C17H12BrF3N4O/c18-11-6-4-9(5-7-11)14-13(16(23)26)15(22)25(24-14)12-3-1-2-10(8-12)17(19,20)21/h1-8H,22H2,(H2,23,26)
InChIKeyCAEIZMXFWFXPOZ-UHFFFAOYSA-N
MW425.21 g/mol
LogP4.00
Rot. Bonds3

About 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 129247785) has the molecular formula C17H12BrF3N4O and a molecular weight of 425.21 g/mol. Its IUPAC name is 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID129247785
Molecular FormulaC17H12BrF3N4O
Molecular Weight425.21 g/mol
Exact Mass424.01
IUPAC Name5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Br)cc2)nn(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C17H12BrF3N4O/c18-11-6-4-9(5-7-11)14-13(16(23)26)15(22)25(24-14)12-3-1-2-10(8-12)17(19,20)21/h1-8H,22H2,(H2,23,26)
InChIKeyCAEIZMXFWFXPOZ-UHFFFAOYSA-N
XLogP4.00
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4983934
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
1-(3-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3875858
5-bromo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123551348
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
CID 7131608
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
3-(4-bromophenyl)-1-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine
CID 4074477
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
5-amino-2-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 141050527
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 129247785) is 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is NC(=O)c1c(-c2ccc(Br)cc2)nn(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is CAEIZMXFWFXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N4O/c18-11-6-4-9(5-7-11)14-13(16(23)26)15(22)25(24-14)12-3-1-2-10(8-12)17(19,20)21/h1-8H,22H2,(H2,23,26).
What are the key properties of 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 425.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129247785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).