5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine

C12H16FN5 — CID 155274053

IUPAC5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine
SMILESCc1cnn2ccc(N3CC(N)CC(F)C3)nc12
InChIInChI=1S/C12H16FN5/c1-8-5-15-18-3-2-11(16-12(8)18)17-6-9(13)4-10(14)7-17/h2-3,5,9-10H,4,6-7,14H2,1H3
InChIKeyGDXXSZUFMCOXBV-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.91
Rot. Bonds1

About 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine

5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine (PubChem CID 155274053) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine
PubChem CID155274053
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine
SMILESCc1cnn2ccc(N3CC(N)CC(F)C3)nc12
InChIInChI=1S/C12H16FN5/c1-8-5-15-18-3-2-11(16-12(8)18)17-6-9(13)4-10(14)7-17/h2-3,5,9-10H,4,6-7,14H2,1H3
InChIKeyGDXXSZUFMCOXBV-UHFFFAOYSA-N
XLogP0.91
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine (CID 155274053) is 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine is Cc1cnn2ccc(N3CC(N)CC(F)C3)nc12.
What is the InChIKey of 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine?
The InChIKey is GDXXSZUFMCOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-8-5-15-18-3-2-11(16-12(8)18)17-6-9(13)4-10(14)7-17/h2-3,5,9-10H,4,6-7,14H2,1H3.
What are the key properties of 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine?
5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine has a molecular weight of 249.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine is sourced from PubChem (CID 155274053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).