[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

C26H24ClFN4O — CID 77156565

IUPAC[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(-c2ccc(F)cc2)n2nc(C3CC3)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H24ClFN4O/c27-19-9-5-17(6-10-19)24-25(18-3-4-18)30-32-22(16-7-11-20(28)12-8-16)14-23(29-26(24)32)31-13-1-2-21(31)15-33/h5-12,14,18,21,33H,1-4,13,15H2
InChIKeyZASUUDKJZDGFSD-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.69
Rot. Bonds5

About [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 77156565) has the molecular formula C26H24ClFN4O and a molecular weight of 462.96 g/mol. Its IUPAC name is [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
PubChem CID77156565
Molecular FormulaC26H24ClFN4O
Molecular Weight462.96 g/mol
Exact Mass462.16
IUPAC Name[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(-c2ccc(F)cc2)n2nc(C3CC3)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H24ClFN4O/c27-19-9-5-17(6-10-19)24-25(18-3-4-18)30-32-22(16-7-11-20(28)12-8-16)14-23(29-26(24)32)31-13-1-2-21(31)15-33/h5-12,14,18,21,33H,1-4,13,15H2
InChIKeyZASUUDKJZDGFSD-UHFFFAOYSA-N
XLogP5.69
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (CID 77156565) is [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(-c2ccc(F)cc2)n2nc(C3CC3)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ZASUUDKJZDGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O/c27-19-9-5-17(6-10-19)24-25(18-3-4-18)30-32-22(16-7-11-20(28)12-8-16)14-23(29-26(24)32)31-13-1-2-21(31)15-33/h5-12,14,18,21,33H,1-4,13,15H2.
What are the key properties of [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
[1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 462.96 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenyl)-2-cyclopropyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 77156565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).