1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride

C16H17ClFN5 — CID 154893497

IUPAC1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C16H16FN5.ClH/c17-13-4-2-1-3-12(13)14-9-16(21-8-6-11(18)10-21)22-15(20-14)5-7-19-22;/h1-5,7,9,11H,6,8,10,18H2;1H
InChIKeyROLKDLXODVIPPT-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.49
Rot. Bonds2

About 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride

1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride (PubChem CID 154893497) has the molecular formula C16H17ClFN5 and a molecular weight of 333.80 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
PubChem CID154893497
Molecular FormulaC16H17ClFN5
Molecular Weight333.80 g/mol
Exact Mass333.12
IUPAC Name1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C16H16FN5.ClH/c17-13-4-2-1-3-12(13)14-9-16(21-8-6-11(18)10-21)22-15(20-14)5-7-19-22;/h1-5,7,9,11H,6,8,10,18H2;1H
InChIKeyROLKDLXODVIPPT-UHFFFAOYSA-N
XLogP2.49
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride (CID 154893497) is 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(c2cc(-c3ccccc3F)nc3ccnn23)C1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is ROLKDLXODVIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5.ClH/c17-13-4-2-1-3-12(13)14-9-16(21-8-6-11(18)10-21)22-15(20-14)5-7-19-22;/h1-5,7,9,11H,6,8,10,18H2;1H.
What are the key properties of 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 333.80 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 154893497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).