7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C13H13F2N3O — CID 136840908

IUPAC7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1CCNc2ccnn21
InChIInChI=1S/C13H13F2N3O/c14-13(15)19-11-4-2-1-3-9(11)10-5-7-16-12-6-8-17-18(10)12/h1-4,6,8,10,13,16H,5,7H2
InChIKeyTTWAERCIJMXDRS-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.89
Rot. Bonds3

About 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840908) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840908
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1CCNc2ccnn21
InChIInChI=1S/C13H13F2N3O/c14-13(15)19-11-4-2-1-3-9(11)10-5-7-16-12-6-8-17-18(10)12/h1-4,6,8,10,13,16H,5,7H2
InChIKeyTTWAERCIJMXDRS-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840908) is 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccccc1C1CCNc2ccnn21.
What is the InChIKey of 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is TTWAERCIJMXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)19-11-4-2-1-3-9(11)10-5-7-16-12-6-8-17-18(10)12/h1-4,6,8,10,13,16H,5,7H2.
What are the key properties of 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 265.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).