4-bromo-1-(oxolan-2-yl)pyrazole

C7H9BrN2O — CID 130806899

IUPAC4-bromo-1-(oxolan-2-yl)pyrazole
SMILESBrc1cnn(C2CCCO2)c1
InChIInChI=1S/C7H9BrN2O/c8-6-4-9-10(5-6)7-2-1-3-11-7/h4-5,7H,1-3H2
InChIKeyOHZDWBKDCQKGAT-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-1-(oxolan-2-yl)pyrazole

4-bromo-1-(oxolan-2-yl)pyrazole (PubChem CID 130806899) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-bromo-1-(oxolan-2-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(oxolan-2-yl)pyrazole
PubChem CID130806899
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-bromo-1-(oxolan-2-yl)pyrazole
SMILESBrc1cnn(C2CCCO2)c1
InChIInChI=1S/C7H9BrN2O/c8-6-4-9-10(5-6)7-2-1-3-11-7/h4-5,7H,1-3H2
InChIKeyOHZDWBKDCQKGAT-UHFFFAOYSA-N
XLogP1.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-(4-bromopyrazol-1-yl)-1,3-dioxolan-2-one
CID 130621533
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride
CID 167994610
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
CID 175855402
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]but-3-enal
CID 170482580
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(oxolan-2-yl)pyrazole?
The IUPAC name of 4-bromo-1-(oxolan-2-yl)pyrazole (CID 130806899) is 4-bromo-1-(oxolan-2-yl)pyrazole.
What is the SMILES notation for 4-bromo-1-(oxolan-2-yl)pyrazole?
The canonical SMILES for 4-bromo-1-(oxolan-2-yl)pyrazole is Brc1cnn(C2CCCO2)c1.
What is the InChIKey of 4-bromo-1-(oxolan-2-yl)pyrazole?
The InChIKey is OHZDWBKDCQKGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-6-4-9-10(5-6)7-2-1-3-11-7/h4-5,7H,1-3H2.
What are the key properties of 4-bromo-1-(oxolan-2-yl)pyrazole?
4-bromo-1-(oxolan-2-yl)pyrazole has a molecular weight of 217.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(oxolan-2-yl)pyrazole is sourced from PubChem (CID 130806899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).