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

C4H3BrF3N3 — CID 25247475

IUPAC4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1Br
InChIInChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
InChIKeyZHAMWMKUYVFDJH-UHFFFAOYSA-N
MW229.99 g/mol
LogP1.77
Rot. Bonds

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

4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 25247475) has the molecular formula C4H3BrF3N3 and a molecular weight of 229.99 g/mol. Its IUPAC name is 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID25247475
Molecular FormulaC4H3BrF3N3
Molecular Weight229.99 g/mol
Exact Mass228.95
IUPAC Name4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1Br
InChIInChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
InChIKeyZHAMWMKUYVFDJH-UHFFFAOYSA-N
XLogP1.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.99
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-bromo-5-methylpyrazole
CID 1241299
5-Amino-4-bromo-3-methylpyrazole hydrobromide
CID 2778427
4-Bromo-5-(perfluoroethyl)-1h-pyrazol-3-amine
CID 176452973
4-Iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 91666192
4-fluoro-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 140300782
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
CID 135504741
3,4-Dibromo-5-(trifluoromethyl)-1H-pyrazole
CID 53439915
4-bromo-5-methyl-1H-pyrazol-3-amine bromide
CID 45108504
(4-bromo-5-methyl-1H-pyrazol-3-yl)hydrazine
CID 21680103
5-Amino-4-bromo-1H-pyrazole-3-carbonitrile
CID 141578604
4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 44630904
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine
CID 135981404

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 25247475) is 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is ZHAMWMKUYVFDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11).
What are the key properties of 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 229.99 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 25247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).