4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline

C16H16N4O — CID 104732214

IUPAC4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1Oc1nccn2nc(C)cc12
InChIInChI=1S/C16H16N4O/c1-3-4-12-10-13(17)5-6-15(12)21-16-14-9-11(2)19-20(14)8-7-18-16/h3,5-10H,1,4,17H2,2H3
InChIKeyHGHCVSWQWDOMDS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.14
Rot. Bonds4

About 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline

4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline (PubChem CID 104732214) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline.

Molecular Properties

Compound Name4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
PubChem CID104732214
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1Oc1nccn2nc(C)cc12
InChIInChI=1S/C16H16N4O/c1-3-4-12-10-13(17)5-6-15(12)21-16-14-9-11(2)19-20(14)8-7-18-16/h3,5-10H,1,4,17H2,2H3
InChIKeyHGHCVSWQWDOMDS-UHFFFAOYSA-N
XLogP3.14
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline?
The IUPAC name of 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline (CID 104732214) is 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline.
What is the SMILES notation for 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline?
The canonical SMILES for 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline is C=CCc1cc(N)ccc1Oc1nccn2nc(C)cc12.
What is the InChIKey of 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline?
The InChIKey is HGHCVSWQWDOMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-4-12-10-13(17)5-6-15(12)21-16-14-9-11(2)19-20(14)8-7-18-16/h3,5-10H,1,4,17H2,2H3.
What are the key properties of 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline?
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline has a molecular weight of 280.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline is sourced from PubChem (CID 104732214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).