1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C15H18BrCl2N3 — CID 115567182

IUPAC1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccc(Cl)c(Br)c2)c1Cl
InChIInChI=1S/C15H18BrCl2N3/c1-4-12-15(18)14(21(3)20-12)8-13(19-2)9-5-6-11(17)10(16)7-9/h5-7,13,19H,4,8H2,1-3H3
InChIKeyPHBIFRQGJZSFHW-UHFFFAOYSA-N
MW391.14 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 115567182) has the molecular formula C15H18BrCl2N3 and a molecular weight of 391.14 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID115567182
Molecular FormulaC15H18BrCl2N3
Molecular Weight391.14 g/mol
Exact Mass389.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccc(Cl)c(Br)c2)c1Cl
InChIInChI=1S/C15H18BrCl2N3/c1-4-12-15(18)14(21(3)20-12)8-13(19-2)9-5-6-11(17)10(16)7-9/h5-7,13,19H,4,8H2,1-3H3
InChIKeyPHBIFRQGJZSFHW-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104998333
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104998520
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105159900
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
CID 104994455
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81492694
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946095
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107102608
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755458
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 104998590

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 115567182) is 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCc1nn(C)c(CC(NC)c2ccc(Cl)c(Br)c2)c1Cl.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is PHBIFRQGJZSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2N3/c1-4-12-15(18)14(21(3)20-12)8-13(19-2)9-5-6-11(17)10(16)7-9/h5-7,13,19H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 391.14 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 115567182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).