2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline

C15H21N3O2 — CID 116800416

IUPAC2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
SMILESCCCOc1cc(Oc2cnn(CCC)c2)ccc1N
InChIInChI=1S/C15H21N3O2/c1-3-7-18-11-13(10-17-18)20-12-5-6-14(16)15(9-12)19-8-4-2/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyKJZCYXYFPTVYRM-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.46
Rot. Bonds7

About 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline

2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline (PubChem CID 116800416) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
PubChem CID116800416
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
SMILESCCCOc1cc(Oc2cnn(CCC)c2)ccc1N
InChIInChI=1S/C15H21N3O2/c1-3-7-18-11-13(10-17-18)20-12-5-6-14(16)15(9-12)19-8-4-2/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyKJZCYXYFPTVYRM-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.46
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

4-propoxy-1-propylpyrazole
CID 116805185
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline?
The IUPAC name of 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline (CID 116800416) is 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline is CCCOc1cc(Oc2cnn(CCC)c2)ccc1N.
What is the InChIKey of 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline?
The InChIKey is KJZCYXYFPTVYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-7-18-11-13(10-17-18)20-12-5-6-14(16)15(9-12)19-8-4-2/h5-6,9-11H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline?
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline has a molecular weight of 275.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116800416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).