5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole

C17H12BrN5O — CID 166332357

IUPAC5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole
SMILESBrc1ccc([C@@H]2C[C@H]2c2nc(-c3ccnc4ccnn34)no2)cc1
InChIInChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)12-9-13(12)17-21-16(22-24-17)14-5-7-19-15-6-8-20-23(14)15/h1-8,12-13H,9H2/t12-,13+/m0/s1
InChIKeyOITTVIZFFSXJIJ-QWHCGFSZSA-N
MW382.22 g/mol
LogP3.81
Rot. Bonds3

About 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole

5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole (PubChem CID 166332357) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole
PubChem CID166332357
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole
SMILESBrc1ccc([C@@H]2C[C@H]2c2nc(-c3ccnc4ccnn34)no2)cc1
InChIInChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)12-9-13(12)17-21-16(22-24-17)14-5-7-19-15-6-8-20-23(14)15/h1-8,12-13H,9H2/t12-,13+/m0/s1
InChIKeyOITTVIZFFSXJIJ-QWHCGFSZSA-N
XLogP3.81
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole (CID 166332357) is 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole is Brc1ccc([C@@H]2C[C@H]2c2nc(-c3ccnc4ccnn34)no2)cc1.
What is the InChIKey of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole?
The InChIKey is OITTVIZFFSXJIJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)12-9-13(12)17-21-16(22-24-17)14-5-7-19-15-6-8-20-23(14)15/h1-8,12-13H,9H2/t12-,13+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole?
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole has a molecular weight of 382.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-pyrazolo[1,5-a]pyrimidin-7-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166332357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).