3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole

C15H19BrN2 — CID 170037358

IUPAC3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
SMILESCCc1cc(-c2ccc(Br)cc2)nn1CC(C)C
InChIInChI=1S/C15H19BrN2/c1-4-14-9-15(17-18(14)10-11(2)3)12-5-7-13(16)8-6-12/h5-9,11H,4,10H2,1-3H3
InChIKeyYJAYOIYGMKRBOQ-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.53
Rot. Bonds4

About 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole

3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole (PubChem CID 170037358) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
PubChem CID170037358
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
SMILESCCc1cc(-c2ccc(Br)cc2)nn1CC(C)C
InChIInChI=1S/C15H19BrN2/c1-4-14-9-15(17-18(14)10-11(2)3)12-5-7-13(16)8-6-12/h5-9,11H,4,10H2,1-3H3
InChIKeyYJAYOIYGMKRBOQ-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole (CID 170037358) is 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole is CCc1cc(-c2ccc(Br)cc2)nn1CC(C)C.
What is the InChIKey of 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole?
The InChIKey is YJAYOIYGMKRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-4-14-9-15(17-18(14)10-11(2)3)12-5-7-13(16)8-6-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole?
3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole has a molecular weight of 307.24 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 170037358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).