4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline

C14H19N3O3 — CID 83008583

IUPAC4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(N)c(Oc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O3/c1-8-14(9(2)17(3)16-8)20-11-7-13(19-5)12(18-4)6-10(11)15/h6-7H,15H2,1-5H3
InChIKeyCTJHJSKRRMNKFV-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.43
Rot. Bonds4

About 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline

4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline (PubChem CID 83008583) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
PubChem CID83008583
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(N)c(Oc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O3/c1-8-14(9(2)17(3)16-8)20-11-7-13(19-5)12(18-4)6-10(11)15/h6-7H,15H2,1-5H3
InChIKeyCTJHJSKRRMNKFV-UHFFFAOYSA-N
XLogP2.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline?
The IUPAC name of 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline (CID 83008583) is 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline is COc1cc(N)c(Oc2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline?
The InChIKey is CTJHJSKRRMNKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-14(9(2)17(3)16-8)20-11-7-13(19-5)12(18-4)6-10(11)15/h6-7H,15H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline?
4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline has a molecular weight of 277.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 83008583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).