4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline

C15H21N3O — CID 54864670

IUPAC4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccnn1C
InChIInChI=1S/C15H21N3O/c1-4-9-19-15-10-12(2)5-6-14(15)16-11-13-7-8-17-18(13)3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyMXUKXVXHEZUQFW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.13
Rot. Bonds6

About 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline (PubChem CID 54864670) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
PubChem CID54864670
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccnn1C
InChIInChI=1S/C15H21N3O/c1-4-9-19-15-10-12(2)5-6-14(15)16-11-13-7-8-17-18(13)3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyMXUKXVXHEZUQFW-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline?
The IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline (CID 54864670) is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline?
The canonical SMILES for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1ccnn1C.
What is the InChIKey of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline?
The InChIKey is MXUKXVXHEZUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-19-15-10-12(2)5-6-14(15)16-11-13-7-8-17-18(13)3/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline?
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline has a molecular weight of 259.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 54864670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).