4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C5H5BrF3N3 — CID 19619546

IUPAC4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)F)cc1Br
InChIInChI=1S/C5H5BrF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyNYAYADBWPUJNNP-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.79
Rot. Bonds1

About 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 19619546) has the molecular formula C5H5BrF3N3 and a molecular weight of 244.01 g/mol. Its IUPAC name is 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID19619546
Molecular FormulaC5H5BrF3N3
Molecular Weight244.01 g/mol
Exact Mass242.96
IUPAC Name4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)F)cc1Br
InChIInChI=1S/C5H5BrF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyNYAYADBWPUJNNP-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
4-bromo-1-methyl-1H-pyrazol-3-amine
CID 2735283
4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592
4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole
CID 53484477
4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 61030283
4-bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 64566558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 19619546) is 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1nn(CC(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is NYAYADBWPUJNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11).
What are the key properties of 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 244.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19619546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).