1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine

C16H21BrClN3 — CID 104996502

IUPAC1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-5-19-14(12-6-10(2)7-13(17)8-12)9-15-16(18)11(3)20-21(15)4/h6-8,14,19H,5,9H2,1-4H3
InChIKeyWJGODIKJYIRXQT-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine

1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine (PubChem CID 104996502) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
PubChem CID104996502
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-5-19-14(12-6-10(2)7-13(17)8-12)9-15-16(18)11(3)20-21(15)4/h6-8,14,19H,5,9H2,1-4H3
InChIKeyWJGODIKJYIRXQT-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 104996741
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783715
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 114330434
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530910
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105000428
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208217
5-[2-(3-bromophenyl)-3-chloropropyl]-4-chloro-1,3-dimethylpyrazole
CID 79431748
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158843

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine (CID 104996502) is 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine is CCNC(Cc1c(Cl)c(C)nn1C)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine?
The InChIKey is WJGODIKJYIRXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-5-19-14(12-6-10(2)7-13(17)8-12)9-15-16(18)11(3)20-21(15)4/h6-8,14,19H,5,9H2,1-4H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine?
1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine has a molecular weight of 370.72 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine is sourced from PubChem (CID 104996502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).