5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine

C11H13F2N5 — CID 175997020

IUPAC5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine
SMILESNC1CN(c2ccn3nccc3n2)CC(F)(F)C1
InChIInChI=1S/C11H13F2N5/c12-11(13)5-8(14)6-17(7-11)9-2-4-18-10(16-9)1-3-15-18/h1-4,8H,5-7,14H2
InChIKeyFXGFKOPVQAIMTR-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.90
Rot. Bonds1

About 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine

5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine (PubChem CID 175997020) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine.

Molecular Properties

Compound Name5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine
PubChem CID175997020
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine
SMILESNC1CN(c2ccn3nccc3n2)CC(F)(F)C1
InChIInChI=1S/C11H13F2N5/c12-11(13)5-8(14)6-17(7-11)9-2-4-18-10(16-9)1-3-15-18/h1-4,8H,5-7,14H2
InChIKeyFXGFKOPVQAIMTR-UHFFFAOYSA-N
XLogP0.90
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine?
The IUPAC name of 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine (CID 175997020) is 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine.
What is the SMILES notation for 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine?
The canonical SMILES for 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine is NC1CN(c2ccn3nccc3n2)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine?
The InChIKey is FXGFKOPVQAIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c12-11(13)5-8(14)6-17(7-11)9-2-4-18-10(16-9)1-3-15-18/h1-4,8H,5-7,14H2.
What are the key properties of 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine?
5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine has a molecular weight of 253.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine is sourced from PubChem (CID 175997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).