5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline

C14H18BrN3O — CID 103818052

IUPAC5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C14H18BrN3O/c1-3-6-18-10-11(9-17-18)8-16-13-7-12(15)4-5-14(13)19-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyASDYZDTVSZTYDZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.68
Rot. Bonds6

About 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline

5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 103818052) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID103818052
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C14H18BrN3O/c1-3-6-18-10-11(9-17-18)8-16-13-7-12(15)4-5-14(13)19-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyASDYZDTVSZTYDZ-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

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Related Compounds

5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
3-bromo-2-(methoxymethyl)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818966
2-bromo-5-chloro-N-[(1-propylpyrazol-4-yl)methyl]pyridin-3-amine
CID 112749961
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
CID 103571443
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline (CID 103818052) is 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline is CCCn1cc(CNc2cc(Br)ccc2OC)cn1.
What is the InChIKey of 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is ASDYZDTVSZTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-6-18-10-11(9-17-18)8-16-13-7-12(15)4-5-14(13)19-2/h4-5,7,9-10,16H,3,6,8H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
5-bromo-2-methoxy-N-[(1-propylpyrazol-4-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-[(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103818052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).