3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine

C12H9FN4 — CID 68751731

IUPAC3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nn2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C12H9FN4/c13-9-4-1-3-8(7-9)10-11(14)16-17-6-2-5-15-12(10)17/h1-7H,(H2,14,16)
InChIKeyLARASVKUBWXAQJ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.12
Rot. Bonds1

About 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 68751731) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID68751731
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nn2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C12H9FN4/c13-9-4-1-3-8(7-9)10-11(14)16-17-6-2-5-15-12(10)17/h1-7H,(H2,14,16)
InChIKeyLARASVKUBWXAQJ-UHFFFAOYSA-N
XLogP2.12
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 68751731) is 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine is Nc1nn2cccnc2c1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LARASVKUBWXAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-9-4-1-3-8(7-9)10-11(14)16-17-6-2-5-15-12(10)17/h1-7H,(H2,14,16).
What are the key properties of 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 228.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 68751731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).