1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine

C10H7BrF3N3 — CID 65484994

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C10H7BrF3N3/c11-6-1-2-8(7(5-6)10(12,13)14)17-4-3-9(15)16-17/h1-5H,(H2,15,16)
InChIKeyPJIDPSKBFSFPPE-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.24
Rot. Bonds1

About 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine

1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 65484994) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID65484994
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C10H7BrF3N3/c11-6-1-2-8(7(5-6)10(12,13)14)17-4-3-9(15)16-17/h1-5H,(H2,15,16)
InChIKeyPJIDPSKBFSFPPE-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 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 65484994) is 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1ccn(-c2ccc(Br)cc2C(F)(F)F)n1.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is PJIDPSKBFSFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c11-6-1-2-8(7(5-6)10(12,13)14)17-4-3-9(15)16-17/h1-5H,(H2,15,16).
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
1-[4-bromo-2-(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 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 65484994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).