1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine

C16H22BrN3O — CID 114648363

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(Cc1cccc(OC)c1)NC
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)11-19-20)15(18-2)10-12-6-5-7-13(9-12)21-3/h5-7,9,11,15,18H,4,8,10H2,1-3H3
InChIKeyFEUKJLRKRYZZBV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 114648363) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID114648363
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(Cc1cccc(OC)c1)NC
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)11-19-20)15(18-2)10-12-6-5-7-13(9-12)21-3/h5-7,9,11,15,18H,4,8,10H2,1-3H3
InChIKeyFEUKJLRKRYZZBV-UHFFFAOYSA-N
XLogP3.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-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

1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105183535
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
CID 105183559
1-(4-bromo-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660822
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 114648363) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine is CCCn1ncc(Br)c1C(Cc1cccc(OC)c1)NC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is FEUKJLRKRYZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-8-20-16(14(17)11-19-20)15(18-2)10-12-6-5-7-13(9-12)21-3/h5-7,9,11,15,18H,4,8,10H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114648363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).