1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole

C12H12BrClN2 — CID 66023034

IUPAC1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C12H12BrClN2/c1-3-9-8(2)15-16(12(9)14)11-7-5-4-6-10(11)13/h4-7H,3H2,1-2H3
InChIKeyVLPPXSQFDILQAB-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole

1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole (PubChem CID 66023034) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
PubChem CID66023034
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C12H12BrClN2/c1-3-9-8(2)15-16(12(9)14)11-7-5-4-6-10(11)13/h4-7H,3H2,1-2H3
InChIKeyVLPPXSQFDILQAB-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The IUPAC name of 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole (CID 66023034) is 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The canonical SMILES for 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole is CCc1c(C)nn(-c2ccccc2Br)c1Cl.
What is the InChIKey of 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The InChIKey is VLPPXSQFDILQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c1-3-9-8(2)15-16(12(9)14)11-7-5-4-6-10(11)13/h4-7H,3H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole?
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole has a molecular weight of 299.60 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole is sourced from PubChem (CID 66023034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).