5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine

C7H5F2N3 — CID 168654912

IUPAC5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1ccn2nccc2n1
InChIInChI=1S/C7H5F2N3/c8-7(9)5-2-4-12-6(11-5)1-3-10-12/h1-4,7H
InChIKeyRSGVNEGLEHEEKQ-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.67
Rot. Bonds1

About 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 168654912) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID168654912
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1ccn2nccc2n1
InChIInChI=1S/C7H5F2N3/c8-7(9)5-2-4-12-6(11-5)1-3-10-12/h1-4,7H
InChIKeyRSGVNEGLEHEEKQ-UHFFFAOYSA-N
XLogP1.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 168654912) is 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)c1ccn2nccc2n1.
What is the InChIKey of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RSGVNEGLEHEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-7(9)5-2-4-12-6(11-5)1-3-10-12/h1-4,7H.
What are the key properties of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 169.13 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 168654912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).