3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C13H11FN4 — CID 1474460

IUPAC3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C13H11FN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyQBSKANVWHNBSBU-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.43
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1474460) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1474460
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C13H11FN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyQBSKANVWHNBSBU-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1474460) is 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QBSKANVWHNBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 242.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1474460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).