2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline

C15H21N3O — CID 43757861

IUPAC2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1cn(C)nc1C(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)15-12(10-18(3)17-15)9-16-13-7-5-6-8-14(13)19-4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyFVMXTTXIKYACBK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds5

About 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline

2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 43757861) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID43757861
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1cn(C)nc1C(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)15-12(10-18(3)17-15)9-16-13-7-5-6-8-14(13)19-4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyFVMXTTXIKYACBK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43792078
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 62872595
2-bromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 113456707
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
2,4-dibromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43780921
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
2-bromo-4-chloro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 81262106
4-fluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid
CID 43787612
4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 43780079

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 43757861) is 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline is COc1ccccc1NCc1cn(C)nc1C(C)C.
What is the InChIKey of 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is FVMXTTXIKYACBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15-12(10-18(3)17-15)9-16-13-7-5-6-8-14(13)19-4/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).