2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine

C14H17BrClN3 — CID 114648016

IUPAC2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H17BrClN3/c1-3-17-13(14-12(16)9-18-19(14)2)8-10-5-4-6-11(15)7-10/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyDXQNUJARTIOLLI-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.73
Rot. Bonds5

About 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine

2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine (PubChem CID 114648016) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
PubChem CID114648016
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H17BrClN3/c1-3-17-13(14-12(16)9-18-19(14)2)8-10-5-4-6-11(15)7-10/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyDXQNUJARTIOLLI-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
2-(3-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126126
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine (CID 114648016) is 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1c(Cl)cnn1C.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine?
The InChIKey is DXQNUJARTIOLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-3-17-13(14-12(16)9-18-19(14)2)8-10-5-4-6-11(15)7-10/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine?
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine has a molecular weight of 342.67 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine is sourced from PubChem (CID 114648016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).