2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

C15H21N3O — CID 64771081

IUPAC2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccn(C(C)C)n1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-16-14-9-12(3)5-6-15(14)19-4/h5-9,11,16H,10H2,1-4H3
InChIKeyFLUCHDUXIHWGCF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.39
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64771081) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID64771081
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccn(C(C)C)n1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-16-14-9-12(3)5-6-15(14)19-4/h5-9,11,16H,10H2,1-4H3
InChIKeyFLUCHDUXIHWGCF-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
CID 19626016
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloro-2-methoxyaniline
CID 64800625
5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296
4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 114839543
2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64770909
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64771069
4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]benzonitrile
CID 64772889
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 64771081) is 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is COc1ccc(C)cc1NCc1ccn(C(C)C)n1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is FLUCHDUXIHWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-16-14-9-12(3)5-6-15(14)19-4/h5-9,11,16H,10H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).