5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole

C16H21BrN2 — CID 153295847

IUPAC5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole
SMILESCCc1cc(-c2ccc(Br)cc2C(C)C)n(CC)n1
InChIInChI=1S/C16H21BrN2/c1-5-13-10-16(19(6-2)18-13)14-8-7-12(17)9-15(14)11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyLTRMMUDPFZZPDR-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.02
Rot. Bonds4

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

5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole (PubChem CID 153295847) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole
PubChem CID153295847
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole
SMILESCCc1cc(-c2ccc(Br)cc2C(C)C)n(CC)n1
InChIInChI=1S/C16H21BrN2/c1-5-13-10-16(19(6-2)18-13)14-8-7-12(17)9-15(14)11(3)4/h7-11H,5-6H2,1-4H3
InChIKeyLTRMMUDPFZZPDR-UHFFFAOYSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole
CID 153295952
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
CID 153296762
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
5-[[3-(4-bromophenyl)azetidin-3-yl]methyl]-1,3-diethylpyrazole
CID 79460711
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267
3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 66120641
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999243

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole?
The IUPAC name of 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole (CID 153295847) is 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole.
What is the SMILES notation for 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole?
The canonical SMILES for 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole is CCc1cc(-c2ccc(Br)cc2C(C)C)n(CC)n1.
What is the InChIKey of 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole?
The InChIKey is LTRMMUDPFZZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-5-13-10-16(19(6-2)18-13)14-8-7-12(17)9-15(14)11(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole?
5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole has a molecular weight of 321.26 g/mol, XLogP of 5.02, 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-propan-2-ylphenyl)-1,3-diethylpyrazole is sourced from PubChem (CID 153295847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).