2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine

C10H7BrF3N3 — CID 21269318

IUPAC2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccnn1-c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-9(15)3-4-16-17/h1-5H,15H2
InChIKeyNKJIBVJZGDFTBD-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.24
Rot. Bonds1

About 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine

2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 21269318) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID21269318
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccnn1-c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-9(15)3-4-16-17/h1-5H,15H2
InChIKeyNKJIBVJZGDFTBD-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 21269318) is 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1ccnn1-c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is NKJIBVJZGDFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c11-7-5-6(10(12,13)14)1-2-8(7)17-9(15)3-4-16-17/h1-5H,15H2.
What are the key properties of 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 306.09 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 21269318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).