4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C5H5BrF3N3 — CID 83825100

IUPAC4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(N)c(Br)c1C(F)(F)F
InChIInChI=1S/C5H5BrF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11)
InChIKeyDKJJAURCTBCTSH-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.78
Rot. Bonds

About 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 83825100) has the molecular formula C5H5BrF3N3 and a molecular weight of 244.01 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID83825100
Molecular FormulaC5H5BrF3N3
Molecular Weight244.01 g/mol
Exact Mass242.96
IUPAC Name4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(N)c(Br)c1C(F)(F)F
InChIInChI=1S/C5H5BrF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11)
InChIKeyDKJJAURCTBCTSH-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 83825100) is 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is Cn1nc(N)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is DKJJAURCTBCTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11).
What are the key properties of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 244.01 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 83825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).