2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine

C13H10FN3 — CID 67115185

IUPAC2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3ncccn3n2)c1F
InChIInChI=1S/C13H10FN3/c1-9-4-2-5-10(13(9)14)11-8-12-15-6-3-7-17(12)16-11/h2-8H,1H3
InChIKeyBGJVCXXGSFRMSJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.84
Rot. Bonds1

About 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine

2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 67115185) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID67115185
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3ncccn3n2)c1F
InChIInChI=1S/C13H10FN3/c1-9-4-2-5-10(13(9)14)11-8-12-15-6-3-7-17(12)16-11/h2-8H,1H3
InChIKeyBGJVCXXGSFRMSJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 67115185) is 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2cc3ncccn3n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BGJVCXXGSFRMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-4-2-5-10(13(9)14)11-8-12-15-6-3-7-17(12)16-11/h2-8H,1H3.
What are the key properties of 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 227.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67115185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).