4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole

C13H14BrClN2 — CID 53235873

IUPAC4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole
SMILESCCCc1c(Br)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C13H14BrClN2/c1-3-4-11-12(14)13(16-17(11)2)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyWIRPIWVWRZOBCG-UHFFFAOYSA-N
MW313.63 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole

4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole (PubChem CID 53235873) has the molecular formula C13H14BrClN2 and a molecular weight of 313.63 g/mol. Its IUPAC name is 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole
PubChem CID53235873
Molecular FormulaC13H14BrClN2
Molecular Weight313.63 g/mol
Exact Mass312.00
IUPAC Name4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole
SMILESCCCc1c(Br)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C13H14BrClN2/c1-3-4-11-12(14)13(16-17(11)2)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyWIRPIWVWRZOBCG-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole?
The IUPAC name of 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole (CID 53235873) is 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole?
The canonical SMILES for 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole is CCCc1c(Br)c(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole?
The InChIKey is WIRPIWVWRZOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2/c1-3-4-11-12(14)13(16-17(11)2)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole?
4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole has a molecular weight of 313.63 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chlorophenyl)-1-methyl-5-propylpyrazole is sourced from PubChem (CID 53235873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).