5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole

C13H14BrN3O — CID 117231772

IUPAC5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
SMILESBrc1c(Oc2ccccc2)cnn1C1CCNC1
InChIInChI=1S/C13H14BrN3O/c14-13-12(18-11-4-2-1-3-5-11)9-16-17(13)10-6-7-15-8-10/h1-5,9-10,15H,6-8H2
InChIKeyHEBPBRLEXVJWMD-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.97
Rot. Bonds3

About 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole

5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole (PubChem CID 117231772) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
PubChem CID117231772
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
SMILESBrc1c(Oc2ccccc2)cnn1C1CCNC1
InChIInChI=1S/C13H14BrN3O/c14-13-12(18-11-4-2-1-3-5-11)9-16-17(13)10-6-7-15-8-10/h1-5,9-10,15H,6-8H2
InChIKeyHEBPBRLEXVJWMD-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(oxolan-3-yl)-4-phenoxypyrazole
CID 117231769
4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
CID 115055509
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
1-[(3R)-pyrrolidin-3-yl]indazole
CID 94401525
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
CID 115055499
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055478
7-methoxy-1-pyrrolidin-3-ylindazole
CID 84682928
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)oxyphenol
CID 115055547
2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279
N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 119794497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole (CID 117231772) is 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole is Brc1c(Oc2ccccc2)cnn1C1CCNC1.
What is the InChIKey of 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole?
The InChIKey is HEBPBRLEXVJWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-13-12(18-11-4-2-1-3-5-11)9-16-17(13)10-6-7-15-8-10/h1-5,9-10,15H,6-8H2.
What are the key properties of 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole?
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole has a molecular weight of 308.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 117231772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).