6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

C12H8F2N4 — CID 167824093

IUPAC6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2cnc3ccnn3c2)ccn1
InChIInChI=1S/C12H8F2N4/c13-12(14)10-5-8(1-3-15-10)9-6-16-11-2-4-17-18(11)7-9/h1-7,12H
InChIKeyUGNWQPIPHSCTRX-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.73
Rot. Bonds2

About 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 167824093) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID167824093
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2cnc3ccnn3c2)ccn1
InChIInChI=1S/C12H8F2N4/c13-12(14)10-5-8(1-3-15-10)9-6-16-11-2-4-17-18(11)7-9/h1-7,12H
InChIKeyUGNWQPIPHSCTRX-UHFFFAOYSA-N
XLogP2.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 167824093) is 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is FC(F)c1cc(-c2cnc3ccnn3c2)ccn1.
What is the InChIKey of 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UGNWQPIPHSCTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-12(14)10-5-8(1-3-15-10)9-6-16-11-2-4-17-18(11)7-9/h1-7,12H.
What are the key properties of 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 246.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167824093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).