5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole

C9H10ClF3N4 — CID 79297088

IUPAC5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CC(F)(F)F
InChIInChI=1S/C9H10ClF3N4/c1-5-7-8(16(2)15-5)17(4-9(11,12)13)6(3-10)14-7/h3-4H2,1-2H3
InChIKeyUFDDHTFIKRNNEB-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.38
Rot. Bonds2

About 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole

5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole (PubChem CID 79297088) has the molecular formula C9H10ClF3N4 and a molecular weight of 266.65 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole
PubChem CID79297088
Molecular FormulaC9H10ClF3N4
Molecular Weight266.65 g/mol
Exact Mass266.05
IUPAC Name5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CC(F)(F)F
InChIInChI=1S/C9H10ClF3N4/c1-5-7-8(16(2)15-5)17(4-9(11,12)13)6(3-10)14-7/h3-4H2,1-2H3
InChIKeyUFDDHTFIKRNNEB-UHFFFAOYSA-N
XLogP2.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole (CID 79297088) is 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(CCl)n2CC(F)(F)F.
What is the InChIKey of 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole?
The InChIKey is UFDDHTFIKRNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4/c1-5-7-8(16(2)15-5)17(4-9(11,12)13)6(3-10)14-7/h3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole has a molecular weight of 266.65 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).