5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine

C10H9F2N3 — CID 166968399

IUPAC5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)C1=CC(=C2CC2)Nc2ccnn21
InChIInChI=1S/C10H9F2N3/c11-10(12)8-5-7(6-1-2-6)14-9-3-4-13-15(8)9/h3-5,10,14H,1-2H2
InChIKeyYADSPWSXACULFE-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.46
Rot. Bonds1

About 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine

5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 166968399) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID166968399
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)C1=CC(=C2CC2)Nc2ccnn21
InChIInChI=1S/C10H9F2N3/c11-10(12)8-5-7(6-1-2-6)14-9-3-4-13-15(8)9/h3-5,10,14H,1-2H2
InChIKeyYADSPWSXACULFE-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine (CID 166968399) is 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine is FC(F)C1=CC(=C2CC2)Nc2ccnn21.
What is the InChIKey of 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is YADSPWSXACULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c11-10(12)8-5-7(6-1-2-6)14-9-3-4-13-15(8)9/h3-5,10,14H,1-2H2.
What are the key properties of 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 209.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166968399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).