5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole

C15H19BrN2 — CID 153295952

IUPAC5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole
SMILESCCc1cc(-c2ccc(Br)cc2CC)n(CC)n1
InChIInChI=1S/C15H19BrN2/c1-4-11-9-12(16)7-8-14(11)15-10-13(5-2)17-18(15)6-3/h7-10H,4-6H2,1-3H3
InChIKeyFVLRYHAUOAAOLY-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.46
Rot. Bonds4

About 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole

5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole (PubChem CID 153295952) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole
PubChem CID153295952
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole
SMILESCCc1cc(-c2ccc(Br)cc2CC)n(CC)n1
InChIInChI=1S/C15H19BrN2/c1-4-11-9-12(16)7-8-14(11)15-10-13(5-2)17-18(15)6-3/h7-10H,4-6H2,1-3H3
InChIKeyFVLRYHAUOAAOLY-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole
CID 153295847
5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
CID 153296762
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
ethyl 5-(4-bromo-2-ethylphenyl)-4-chloro-1-ethylpyrazole-3-carboxylate
CID 146287542
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
5-(4-bromo-2-ethylphenyl)-1,3-oxazole
CID 146035075
4-(4-bromo-2-ethylphenyl)phenol
CID 118355100
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
5-[[3-(4-bromophenyl)azetidin-3-yl]methyl]-1,3-diethylpyrazole
CID 79460711
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
CID 117420990
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole?
The IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole (CID 153295952) is 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole.
What is the SMILES notation for 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole?
The canonical SMILES for 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole is CCc1cc(-c2ccc(Br)cc2CC)n(CC)n1.
What is the InChIKey of 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole?
The InChIKey is FVLRYHAUOAAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-4-11-9-12(16)7-8-14(11)15-10-13(5-2)17-18(15)6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole?
5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole has a molecular weight of 307.24 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole is sourced from PubChem (CID 153295952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).