4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole

C13H12BrF2N3 — CID 84608392

IUPAC4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESFc1ccc(F)c(-c2n[nH]c(C3CCCN3)c2Br)c1
InChIInChI=1S/C13H12BrF2N3/c14-11-12(8-6-7(15)3-4-9(8)16)18-19-13(11)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,19)
InChIKeyILWWXZODSRWNSZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.54
Rot. Bonds2

About 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole

4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 84608392) has the molecular formula C13H12BrF2N3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
PubChem CID84608392
Molecular FormulaC13H12BrF2N3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESFc1ccc(F)c(-c2n[nH]c(C3CCCN3)c2Br)c1
InChIInChI=1S/C13H12BrF2N3/c14-11-12(8-6-7(15)3-4-9(8)16)18-19-13(11)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,19)
InChIKeyILWWXZODSRWNSZ-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84604258
4-bromo-3-(4-methylsulfanylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84611715
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
4-[3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazol-4-yl]pyridine
CID 22037247
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
CID 84643065
CID 174947937
CID 174947937
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole (CID 84608392) is 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole is Fc1ccc(F)c(-c2n[nH]c(C3CCCN3)c2Br)c1.
What is the InChIKey of 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is ILWWXZODSRWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3/c14-11-12(8-6-7(15)3-4-9(8)16)18-19-13(11)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,19).
What are the key properties of 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 328.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 84608392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).