4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline

C17H25N3O — CID 103818721

IUPAC4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCOc1cc(C)ccc1NCc1cnn(CCC)c1
InChIInChI=1S/C17H25N3O/c1-4-8-20-13-15(12-19-20)11-18-16-7-6-14(3)10-17(16)21-9-5-2/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3
InChIKeyVHMUMKHHVQFENC-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.00
Rot. Bonds8

About 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline

4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 103818721) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID103818721
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCOc1cc(C)ccc1NCc1cnn(CCC)c1
InChIInChI=1S/C17H25N3O/c1-4-8-20-13-15(12-19-20)11-18-16-7-6-14(3)10-17(16)21-9-5-2/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3
InChIKeyVHMUMKHHVQFENC-UHFFFAOYSA-N
XLogP4.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624
5-bromo-2-methoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818052
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline (CID 103818721) is 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline is CCCOc1cc(C)ccc1NCc1cnn(CCC)c1.
What is the InChIKey of 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is VHMUMKHHVQFENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-8-20-13-15(12-19-20)11-18-16-7-6-14(3)10-17(16)21-9-5-2/h6-7,10,12-13,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline?
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103818721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).