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

C16H21BrClN3 — CID 105034921

IUPAC1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)c1cccc(Br)c1C
InChIInChI=1S/C16H21BrClN3/c1-5-19-15(12-7-6-8-14(17)10(12)2)9-13-11(3)20-21(4)16(13)18/h6-8,15,19H,5,9H2,1-4H3
InChIKeyDIMHILMIYZUNOI-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.35
Rot. Bonds5

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

1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 105034921) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
PubChem CID105034921
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)c1cccc(Br)c1C
InChIInChI=1S/C16H21BrClN3/c1-5-19-15(12-7-6-8-14(17)10(12)2)9-13-11(3)20-21(4)16(13)18/h6-8,15,19H,5,9H2,1-4H3
InChIKeyDIMHILMIYZUNOI-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

1-(3-bromo-2-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107953609
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 107969013
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106858543
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105180268
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(2-bromo-4-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034943
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946702
1-(2-bromo-4-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 107995113
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine (CID 105034921) is 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine is CCNC(Cc1c(C)nn(C)c1Cl)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is DIMHILMIYZUNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-5-19-15(12-7-6-8-14(17)10(12)2)9-13-11(3)20-21(4)16(13)18/h6-8,15,19H,5,9H2,1-4H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine?
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-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-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 105034921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).