2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine

C8H6Cl3N3 — CID 102262900

IUPAC2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C(Cl)(Cl)Cl)n2n1
InChIInChI=1S/C8H6Cl3N3/c1-5-4-7-12-3-2-6(8(9,10)11)14(7)13-5/h2-4H,1H3
InChIKeyFUVFSBRFFYBTCZ-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.86
Rot. Bonds

About 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine

2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 102262900) has the molecular formula C8H6Cl3N3 and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID102262900
Molecular FormulaC8H6Cl3N3
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(C(Cl)(Cl)Cl)n2n1
InChIInChI=1S/C8H6Cl3N3/c1-5-4-7-12-3-2-6(8(9,10)11)14(7)13-5/h2-4H,1H3
InChIKeyFUVFSBRFFYBTCZ-UHFFFAOYSA-N
XLogP2.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine (CID 102262900) is 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(C(Cl)(Cl)Cl)n2n1.
What is the InChIKey of 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FUVFSBRFFYBTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3/c1-5-4-7-12-3-2-6(8(9,10)11)14(7)13-5/h2-4H,1H3.
What are the key properties of 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 250.52 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102262900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).