4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline

C14H19N3O3 — CID 116800610

IUPAC4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(N)c(Oc2cnn(C(C)C)c2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-9(2)17-8-10(7-16-17)20-12-6-14(19-4)13(18-3)5-11(12)15/h5-9H,15H2,1-4H3
InChIKeyWJQZZYFHUFXRFL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.86
Rot. Bonds5

About 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline

4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline (PubChem CID 116800610) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
PubChem CID116800610
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(N)c(Oc2cnn(C(C)C)c2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-9(2)17-8-10(7-16-17)20-12-6-14(19-4)13(18-3)5-11(12)15/h5-9H,15H2,1-4H3
InChIKeyWJQZZYFHUFXRFL-UHFFFAOYSA-N
XLogP2.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800505
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
6-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-5-amine
CID 116800507
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline?
The IUPAC name of 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline (CID 116800610) is 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline is COc1cc(N)c(Oc2cnn(C(C)C)c2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline?
The InChIKey is WJQZZYFHUFXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)17-8-10(7-16-17)20-12-6-14(19-4)13(18-3)5-11(12)15/h5-9H,15H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline?
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline has a molecular weight of 277.32 g/mol, XLogP of 2.86, 5 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-propan-2-ylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116800610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).