5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine

C9H8F2IN3 — CID 165484166

IUPAC5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C)cc(C(F)F)nc2c1I
InChIInChI=1S/C9H8F2IN3/c1-4-3-6(8(10)11)13-9-7(12)5(2)14-15(4)9/h3,8H,1-2H3
InChIKeyJQTOXPQXBBUVOA-UHFFFAOYSA-N
MW323.08 g/mol
LogP2.89
Rot. Bonds1

About 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine

5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 165484166) has the molecular formula C9H8F2IN3 and a molecular weight of 323.08 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID165484166
Molecular FormulaC9H8F2IN3
Molecular Weight323.08 g/mol
Exact Mass322.97
IUPAC Name5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C)cc(C(F)F)nc2c1I
InChIInChI=1S/C9H8F2IN3/c1-4-3-6(8(10)11)13-9-7(12)5(2)14-15(4)9/h3,8H,1-2H3
InChIKeyJQTOXPQXBBUVOA-UHFFFAOYSA-N
XLogP2.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.08
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 165484166) is 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C)cc(C(F)F)nc2c1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JQTOXPQXBBUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2IN3/c1-4-3-6(8(10)11)13-9-7(12)5(2)14-15(4)9/h3,8H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 323.08 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-iodo-2,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165484166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).