N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine

C13H13BrF3N3 — CID 107286235

IUPACN-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(Nc2cc(Br)ccc2C(F)(F)F)cn1
InChIInChI=1S/C13H13BrF3N3/c1-8(2)20-7-10(6-18-20)19-12-5-9(14)3-4-11(12)13(15,16)17/h3-8,19H,1-2H3
InChIKeyOGYGQRBQLVEWCL-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.99
Rot. Bonds3

About N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine

N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 107286235) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID107286235
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC NameN-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(Nc2cc(Br)ccc2C(F)(F)F)cn1
InChIInChI=1S/C13H13BrF3N3/c1-8(2)20-7-10(6-18-20)19-12-5-9(14)3-4-11(12)13(15,16)17/h3-8,19H,1-2H3
InChIKeyOGYGQRBQLVEWCL-UHFFFAOYSA-N
XLogP4.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 142787848
N-(4-bromo-5-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 66112630
N-(4-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 115606693
2-[5-bromo-2-(trifluoromethyl)phenyl]-1,1-dimethylhydrazine
CID 107286484
4-[(1-propan-2-ylpyrazol-4-yl)amino]benzoic acid
CID 62902330
4-chloro-5-[(1-propan-2-ylpyrazol-4-yl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133275983
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 63627298
3-amino-4-[(1-propan-2-ylpyrazol-4-yl)amino]benzamide
CID 55131641
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
4-[5-bromo-2-(bromomethyl)phenoxy]-1-propan-2-ylpyrazole
CID 107089280
5-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 66341927
N-(4-chloro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62902136

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine (CID 107286235) is N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(Nc2cc(Br)ccc2C(F)(F)F)cn1.
What is the InChIKey of N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is OGYGQRBQLVEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c1-8(2)20-7-10(6-18-20)19-12-5-9(14)3-4-11(12)13(15,16)17/h3-8,19H,1-2H3.
What are the key properties of N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine?
N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 348.17 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 107286235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).