N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

C15H20BrN3O — CID 114646936

IUPACN-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1c(OC)cnn1CC
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(11-6-8-12(16)9-7-11)15-13(20-3)10-18-19(15)5-2/h6-10,14,17H,4-5H2,1-3H3
InChIKeyHVSSICAAFJVDEZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.37
Rot. Bonds6

About N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (PubChem CID 114646936) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
PubChem CID114646936
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1c(OC)cnn1CC
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(11-6-8-12(16)9-7-11)15-13(20-3)10-18-19(15)5-2/h6-10,14,17H,4-5H2,1-3H3
InChIKeyHVSSICAAFJVDEZ-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine 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

N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041
N-[(5-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114652680
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 105047825
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
[(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850526
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (CID 114646936) is N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1c(OC)cnn1CC.
What is the InChIKey of N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The InChIKey is HVSSICAAFJVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-17-14(11-6-8-12(16)9-7-11)15-13(20-3)10-18-19(15)5-2/h6-10,14,17H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114646936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).