1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H18BrN3 — CID 62126641

IUPAC1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-16-14(8-11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyIZUOPICNCTZWHV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 62126641) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID62126641
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-16-14(8-11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyIZUOPICNCTZWHV-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60883036
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 62126641) is 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is IZUOPICNCTZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-16-14(8-11-9-17-18(2)10-11)12-6-4-5-7-13(12)15/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62126641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).