4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline

C13H17N3O2 — CID 58858055

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cc(C)nn1C
InChIInChI=1S/C13H17N3O2/c1-9-6-11(16(2)15-9)8-18-12-5-4-10(14)7-13(12)17-3/h4-7H,8,14H2,1-3H3
InChIKeyZYQMBKAURXIXNN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline

4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline (PubChem CID 58858055) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
PubChem CID58858055
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cc(C)nn1C
InChIInChI=1S/C13H17N3O2/c1-9-6-11(16(2)15-9)8-18-12-5-4-10(14)7-13(12)17-3/h4-7H,8,14H2,1-3H3
InChIKeyZYQMBKAURXIXNN-UHFFFAOYSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 107665501
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
3-methoxy-4-phenylmethoxyaniline
CID 27226
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 62110783
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
CID 106955798
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-fluorophenyl]-trifluoroboranuide
CID 114675060

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline (CID 58858055) is 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline is COc1cc(N)ccc1OCc1cc(C)nn1C.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline?
The InChIKey is ZYQMBKAURXIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-11(16(2)15-9)8-18-12-5-4-10(14)7-13(12)17-3/h4-7H,8,14H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline?
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline has a molecular weight of 247.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline is sourced from PubChem (CID 58858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).