4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline

C12H11N5O — CID 62920467

IUPAC4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCn1nccc1-c1nc(-c2ccc(N)cc2)no1
InChIInChI=1S/C12H11N5O/c1-17-10(6-7-14-17)12-15-11(16-18-12)8-2-4-9(13)5-3-8/h2-7H,13H2,1H3
InChIKeyXFPQPUJZYFTOLA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

About 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline

4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 62920467) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID62920467
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCn1nccc1-c1nc(-c2ccc(N)cc2)no1
InChIInChI=1S/C12H11N5O/c1-17-10(6-7-14-17)12-15-11(16-18-12)8-2-4-9(13)5-3-8/h2-7H,13H2,1H3
InChIKeyXFPQPUJZYFTOLA-UHFFFAOYSA-N
XLogP1.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
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-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline (CID 62920467) is 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline is Cn1nccc1-c1nc(-c2ccc(N)cc2)no1.
What is the InChIKey of 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is XFPQPUJZYFTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-10(6-7-14-17)12-15-11(16-18-12)8-2-4-9(13)5-3-8/h2-7H,13H2,1H3.
What are the key properties of 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline?
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 62920467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).