5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline

C14H18BrN3O — CID 114555647

IUPAC5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN3O/c1-3-8-18-12(6-7-17-18)10-16-13-9-11(15)4-5-14(13)19-2/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyBQDFAADRWMPHRG-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.68
Rot. Bonds6

About 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline

5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555647) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555647
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN3O/c1-3-8-18-12(6-7-17-18)10-16-13-9-11(15)4-5-14(13)19-2/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyBQDFAADRWMPHRG-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline 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-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818052
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 55039471
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
CID 115761863
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethoxyaniline
CID 115866170
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555647) is 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is BQDFAADRWMPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-8-18-12(6-7-17-18)10-16-13-9-11(15)4-5-14(13)19-2/h4-7,9,16H,3,8,10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 324.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).