3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

C10H8BrF3N4 — CID 90184863

IUPAC3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)nn1-c1cnc(N)c(Br)c1
InChIInChI=1S/C10H8BrF3N4/c1-5-2-8(10(12,13)14)17-18(5)6-3-7(11)9(15)16-4-6/h2-4H,1H3,(H2,15,16)
InChIKeyXYZLSPUFWLWEQC-UHFFFAOYSA-N
MW321.10 g/mol
LogP2.94
Rot. Bonds1

About 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 90184863) has the molecular formula C10H8BrF3N4 and a molecular weight of 321.10 g/mol. Its IUPAC name is 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
PubChem CID90184863
Molecular FormulaC10H8BrF3N4
Molecular Weight321.10 g/mol
Exact Mass319.99
IUPAC Name3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)nn1-c1cnc(N)c(Br)c1
InChIInChI=1S/C10H8BrF3N4/c1-5-2-8(10(12,13)14)17-18(5)6-3-7(11)9(15)16-4-6/h2-4H,1H3,(H2,15,16)
InChIKeyXYZLSPUFWLWEQC-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (CID 90184863) is 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is Cc1cc(C(F)(F)F)nn1-c1cnc(N)c(Br)c1.
What is the InChIKey of 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The InChIKey is XYZLSPUFWLWEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4/c1-5-2-8(10(12,13)14)17-18(5)6-3-7(11)9(15)16-4-6/h2-4H,1H3,(H2,15,16).
What are the key properties of 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 321.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 90184863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).