3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine

C10H9BrClN3O — CID 21066433

IUPAC3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOC2)nc2c(Br)cnn12
InChIInChI=1S/C10H9BrClN3O/c11-7-4-13-15-9(12)3-8(14-10(7)15)6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyUVHJJQHLWHLHEN-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.65
Rot. Bonds1

About 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21066433) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID21066433
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOC2)nc2c(Br)cnn12
InChIInChI=1S/C10H9BrClN3O/c11-7-4-13-15-9(12)3-8(14-10(7)15)6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyUVHJJQHLWHLHEN-UHFFFAOYSA-N
XLogP2.65
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 130565209
CID 130565209
CID 21035741
CID 21035741
CID 21035742
CID 21035742
CID 21035743
CID 21035743
CID 21065749
CID 21065749
CID 21066425
CID 21066425
CID 21066430
CID 21066430
CID 21066432
CID 21066432
CID 21066434
CID 21066434
CID 21067055
CID 21067055
CID 58316710
CID 58316710
CID 58812689
CID 58812689

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine (CID 21066433) is 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCOC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UVHJJQHLWHLHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c11-7-4-13-15-9(12)3-8(14-10(7)15)6-1-2-16-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 302.56 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).