4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline

C12H15N3O — CID 134456084

IUPAC4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
SMILESCOc1cc(-c2cc(C)n(C)n2)ccc1N
InChIInChI=1S/C12H15N3O/c1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)16-3/h4-7H,13H2,1-3H3
InChIKeyKWNOOXGMIMNJDJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds2

About 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline

4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline (PubChem CID 134456084) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
PubChem CID134456084
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
SMILESCOc1cc(-c2cc(C)n(C)n2)ccc1N
InChIInChI=1S/C12H15N3O/c1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)16-3/h4-7H,13H2,1-3H3
InChIKeyKWNOOXGMIMNJDJ-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
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

3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
3-[4-[4-(1,5-dimethylpyrazol-3-yl)phenoxy]phenyl]-1,5-dimethylpyrazole
CID 22088070
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
CID 104784473

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline?
The IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline (CID 134456084) is 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline?
The canonical SMILES for 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline is COc1cc(-c2cc(C)n(C)n2)ccc1N.
What is the InChIKey of 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline?
The InChIKey is KWNOOXGMIMNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-6-11(14-15(8)2)9-4-5-10(13)12(7-9)16-3/h4-7H,13H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline?
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline has a molecular weight of 217.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline is sourced from PubChem (CID 134456084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).