4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine

C12H13N5O2 — CID 116800519

IUPAC4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
SMILESCC(C)n1cc(Oc2ccc(N)c3nonc23)cn1
InChIInChI=1S/C12H13N5O2/c1-7(2)17-6-8(5-14-17)18-10-4-3-9(13)11-12(10)16-19-15-11/h3-7H,13H2,1-2H3
InChIKeyDKNRFXJUKXWPHG-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.37
Rot. Bonds3

About 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine

4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine (PubChem CID 116800519) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
PubChem CID116800519
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
SMILESCC(C)n1cc(Oc2ccc(N)c3nonc23)cn1
InChIInChI=1S/C12H13N5O2/c1-7(2)17-6-8(5-14-17)18-10-4-3-9(13)11-12(10)16-19-15-11/h3-7H,13H2,1-2H3
InChIKeyDKNRFXJUKXWPHG-UHFFFAOYSA-N
XLogP2.37
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518668
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
4-(3,5-dimethoxyphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43589811
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800610
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800505
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893574
6-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-5-amine
CID 116800507
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine (CID 116800519) is 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine is CC(C)n1cc(Oc2ccc(N)c3nonc23)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine?
The InChIKey is DKNRFXJUKXWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7(2)17-6-8(5-14-17)18-10-4-3-9(13)11-12(10)16-19-15-11/h3-7H,13H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine?
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine has a molecular weight of 259.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 116800519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).