2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

C14H17BrCl2N4 — CID 79783515

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCCn1nc(C)c(Br)c1CC(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H17BrCl2N4/c1-4-21-12(13(15)8(2)20-21)6-11(18-3)14-10(17)5-9(16)7-19-14/h5,7,11,18H,4,6H2,1-3H3
InChIKeyFRIAUHMTHYTSIB-UHFFFAOYSA-N
MW392.13 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (PubChem CID 79783515) has the molecular formula C14H17BrCl2N4 and a molecular weight of 392.13 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
PubChem CID79783515
Molecular FormulaC14H17BrCl2N4
Molecular Weight392.13 g/mol
Exact Mass390.00
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCCn1nc(C)c(Br)c1CC(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H17BrCl2N4/c1-4-21-12(13(15)8(2)20-21)6-11(18-3)14-10(17)5-9(16)7-19-14/h5,7,11,18H,4,6H2,1-3H3
InChIKeyFRIAUHMTHYTSIB-UHFFFAOYSA-N
XLogP4.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 104998048
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 104998798
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783715
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)-N-methylethanamine
CID 104998054
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79428097
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79433938

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (CID 79783515) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is CCn1nc(C)c(Br)c1CC(NC)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is FRIAUHMTHYTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N4/c1-4-21-12(13(15)8(2)20-21)6-11(18-3)14-10(17)5-9(16)7-19-14/h5,7,11,18H,4,6H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine has a molecular weight of 392.13 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79783515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).