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

C15H18BrN3 — CID 84604258

IUPAC4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESCCc1ccc(-c2n[nH]c(C3CCCN3)c2Br)cc1
InChIInChI=1S/C15H18BrN3/c1-2-10-5-7-11(8-6-10)14-13(16)15(19-18-14)12-4-3-9-17-12/h5-8,12,17H,2-4,9H2,1H3,(H,18,19)
InChIKeyKKHBOHHKISBPFI-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.83
Rot. Bonds3

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

4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 84604258) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
PubChem CID84604258
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
SMILESCCc1ccc(-c2n[nH]c(C3CCCN3)c2Br)cc1
InChIInChI=1S/C15H18BrN3/c1-2-10-5-7-11(8-6-10)14-13(16)15(19-18-14)12-4-3-9-17-12/h5-8,12,17H,2-4,9H2,1H3,(H,18,19)
InChIKeyKKHBOHHKISBPFI-UHFFFAOYSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(4-methylsulfanylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84611715
4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84608392
4-[3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazol-4-yl]pyridine
CID 22037247
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
2-(2-tert-butyl-5-ethylphenyl)pyrrolidine
CID 146753691
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole (CID 84604258) is 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole is CCc1ccc(-c2n[nH]c(C3CCCN3)c2Br)cc1.
What is the InChIKey of 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is KKHBOHHKISBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-10-5-7-11(8-6-10)14-13(16)15(19-18-14)12-4-3-9-17-12/h5-8,12,17H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole?
4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 320.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 84604258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).