2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline

C12H15N3O — CID 62125617

IUPAC2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
SMILESCc1cc(OCc2cnn(C)c2)ccc1N
InChIInChI=1S/C12H15N3O/c1-9-5-11(3-4-12(9)13)16-8-10-6-14-15(2)7-10/h3-7H,8,13H2,1-2H3
InChIKeyNXOJGEFGQRSQKR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline

2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline (PubChem CID 62125617) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
PubChem CID62125617
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
SMILESCc1cc(OCc2cnn(C)c2)ccc1N
InChIInChI=1S/C12H15N3O/c1-9-5-11(3-4-12(9)13)16-8-10-6-14-15(2)7-10/h3-7H,8,13H2,1-2H3
InChIKeyNXOJGEFGQRSQKR-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
(1-methylpyrazol-4-yl)methyl 3-(3,4-dimethylphenoxy)propanoate
CID 78850726
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline?
The IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline (CID 62125617) is 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline?
The canonical SMILES for 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline is Cc1cc(OCc2cnn(C)c2)ccc1N.
What is the InChIKey of 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline?
The InChIKey is NXOJGEFGQRSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-11(3-4-12(9)13)16-8-10-6-14-15(2)7-10/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline?
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline is sourced from PubChem (CID 62125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).