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

C13H13BrF3N3 — CID 107332999

IUPAC5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1c(N)n[nH]c1-c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-6(2)10-11(19-20-12(10)18)8-4-3-7(14)5-9(8)13(15,16)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyXXYXPIFHHBKPNZ-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.56
Rot. Bonds2

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

5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 107332999) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
PubChem CID107332999
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1c(N)n[nH]c1-c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-6(2)10-11(19-20-12(10)18)8-4-3-7(14)5-9(8)13(15,16)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyXXYXPIFHHBKPNZ-UHFFFAOYSA-N
XLogP4.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-bromo-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867894
5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine
CID 113490535
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403
5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
CID 122603922
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
CID 164893029
(1R)-1-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899765
1-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62690337
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
CID 63486444
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62498917
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine (CID 107332999) is 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine is CC(C)c1c(N)n[nH]c1-c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is XXYXPIFHHBKPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c1-6(2)10-11(19-20-12(10)18)8-4-3-7(14)5-9(8)13(15,16)17/h3-6H,1-2H3,(H3,18,19,20).
What are the key properties of 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine?
5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 348.17 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 107332999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).