2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

C10H8BrF3N4 — CID 64585092

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1nn(-c2nccc(C(F)(F)F)n2)c(C)c1Br
InChIInChI=1S/C10H8BrF3N4/c1-5-8(11)6(2)18(17-5)9-15-4-3-7(16-9)10(12,13)14/h3-4H,1-2H3
InChIKeyAWHXJWGSRAFASF-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.06
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 64585092) has the molecular formula C10H8BrF3N4 and a molecular weight of 321.10 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID64585092
Molecular FormulaC10H8BrF3N4
Molecular Weight321.10 g/mol
Exact Mass319.99
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1nn(-c2nccc(C(F)(F)F)n2)c(C)c1Br
InChIInChI=1S/C10H8BrF3N4/c1-5-8(11)6(2)18(17-5)9-15-4-3-7(16-9)10(12,13)14/h3-4H,1-2H3
InChIKeyAWHXJWGSRAFASF-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (CID 64585092) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is Cc1nn(-c2nccc(C(F)(F)F)n2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AWHXJWGSRAFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4/c1-5-8(11)6(2)18(17-5)9-15-4-3-7(16-9)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 321.10 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64585092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).