2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

C25H25FN4O — CID 3230012

IUPAC2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H25FN4O/c26-20-11-9-19(10-12-20)23-16-24-27-22(18-6-2-1-3-7-18)17-25(30(24)28-23)29-14-5-4-8-21(29)13-15-31/h1-3,6-7,9-12,16-17,21,31H,4-5,8,13-15H2
InChIKeyPAXQDESKFJHMCK-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.94
Rot. Bonds5

About 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol (PubChem CID 3230012) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
PubChem CID3230012
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H25FN4O/c26-20-11-9-19(10-12-20)23-16-24-27-22(18-6-2-1-3-7-18)17-25(30(24)28-23)29-14-5-4-8-21(29)13-15-31/h1-3,6-7,9-12,16-17,21,31H,4-5,8,13-15H2
InChIKeyPAXQDESKFJHMCK-UHFFFAOYSA-N
XLogP4.94
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol (CID 3230012) is 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol is OCCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The InChIKey is PAXQDESKFJHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-20-11-9-19(10-12-20)23-16-24-27-22(18-6-2-1-3-7-18)17-25(30(24)28-23)29-14-5-4-8-21(29)13-15-31/h1-3,6-7,9-12,16-17,21,31H,4-5,8,13-15H2.
What are the key properties of 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol has a molecular weight of 416.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 3230012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).