3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H17BrN4O — CID 136841759

IUPAC3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2cccnc2)nn2c1NCCC2C1CCOC1
InChIInChI=1S/C15H17BrN4O/c16-13-14(10-2-1-5-17-8-10)19-20-12(3-6-18-15(13)20)11-4-7-21-9-11/h1-2,5,8,11-12,18H,3-4,6-7,9H2
InChIKeyYRCIDZBKXZSINO-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.10
Rot. Bonds2

About 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841759) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841759
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2cccnc2)nn2c1NCCC2C1CCOC1
InChIInChI=1S/C15H17BrN4O/c16-13-14(10-2-1-5-17-8-10)19-20-12(3-6-18-15(13)20)11-4-7-21-9-11/h1-2,5,8,11-12,18H,3-4,6-7,9H2
InChIKeyYRCIDZBKXZSINO-UHFFFAOYSA-N
XLogP3.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841759) is 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Brc1c(-c2cccnc2)nn2c1NCCC2C1CCOC1.
What is the InChIKey of 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YRCIDZBKXZSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-13-14(10-2-1-5-17-8-10)19-20-12(3-6-18-15(13)20)11-4-7-21-9-11/h1-2,5,8,11-12,18H,3-4,6-7,9H2.
What are the key properties of 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 349.23 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).