3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine

C7H5F2N3 — CID 90155200

IUPAC3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(F)cnn2cc1F
InChIInChI=1S/C7H5F2N3/c1-4-6(9)3-12-7(11-4)5(8)2-10-12/h2-3H,1H3
InChIKeyCUOQRWHZBONMAM-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.32
Rot. Bonds

About 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine

3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 90155200) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID90155200
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(F)cnn2cc1F
InChIInChI=1S/C7H5F2N3/c1-4-6(9)3-12-7(11-4)5(8)2-10-12/h2-3H,1H3
InChIKeyCUOQRWHZBONMAM-UHFFFAOYSA-N
XLogP1.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine (CID 90155200) is 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(F)cnn2cc1F.
What is the InChIKey of 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CUOQRWHZBONMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c1-4-6(9)3-12-7(11-4)5(8)2-10-12/h2-3H,1H3.
What are the key properties of 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine?
3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 169.13 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90155200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).