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

C15H18BrClFN3 — CID 107953244

IUPAC1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCn1nc(C)c(Cl)c1CC(NC)c1cccc(Br)c1F
InChIInChI=1S/C15H18BrClFN3/c1-4-21-13(14(17)9(2)20-21)8-12(19-3)10-6-5-7-11(16)15(10)18/h5-7,12,19H,4,8H2,1-3H3
InChIKeyHEVGPHGBPAMHPI-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.27
Rot. Bonds5

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

1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 107953244) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID107953244
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCn1nc(C)c(Cl)c1CC(NC)c1cccc(Br)c1F
InChIInChI=1S/C15H18BrClFN3/c1-4-21-13(14(17)9(2)20-21)8-12(19-3)10-6-5-7-11(16)15(10)18/h5-7,12,19H,4,8H2,1-3H3
InChIKeyHEVGPHGBPAMHPI-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
CID 104998655
1-(2-bromo-3-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
CID 107985122
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 79516829
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 104998643
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81270097
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)-N-methylethanamine
CID 104998054
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 104998798
1-(2-bromo-6-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 114886690
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid
CID 79434068
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine (CID 107953244) is 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine is CCn1nc(C)c(Cl)c1CC(NC)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is HEVGPHGBPAMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN3/c1-4-21-13(14(17)9(2)20-21)8-12(19-3)10-6-5-7-11(16)15(10)18/h5-7,12,19H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine?
1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 374.69 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 107953244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).