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

C13H13F2N3 — CID 4773045

IUPAC7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)C1CC(c2ccccc2)Nc2ccnn21
InChIInChI=1S/C13H13F2N3/c14-13(15)11-8-10(9-4-2-1-3-5-9)17-12-6-7-16-18(11)12/h1-7,10-11,13,17H,8H2
InChIKeyRELKPDKPDFACSX-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.25
Rot. Bonds2

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

7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 4773045) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID4773045
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)C1CC(c2ccccc2)Nc2ccnn21
InChIInChI=1S/C13H13F2N3/c14-13(15)11-8-10(9-4-2-1-3-5-9)17-12-6-7-16-18(11)12/h1-7,10-11,13,17H,8H2
InChIKeyRELKPDKPDFACSX-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 4773045) is 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)C1CC(c2ccccc2)Nc2ccnn21.
What is the InChIKey of 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RELKPDKPDFACSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c14-13(15)11-8-10(9-4-2-1-3-5-9)17-12-6-7-16-18(11)12/h1-7,10-11,13,17H,8H2.
What are the key properties of 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 249.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).