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

C10H9F3N4 — CID 118289708

IUPAC2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3
InChIKeyAZWHUIDLUOUZIO-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.20
Rot. Bonds1

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

2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 118289708) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID118289708
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3
InChIKeyAZWHUIDLUOUZIO-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine (CID 118289708) is 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine is Cc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AZWHUIDLUOUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118289708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).