4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline

C16H17N5O — CID 46853355

IUPAC4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline
SMILESNc1ccc(-c2cnn3c(N4CCOCC4)ccnc23)cc1
InChIInChI=1S/C16H17N5O/c17-13-3-1-12(2-4-13)14-11-19-21-15(5-6-18-16(14)21)20-7-9-22-10-8-20/h1-6,11H,7-10,17H2
InChIKeyQRJGWCAQIOKUBH-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.82
Rot. Bonds2

About 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline

4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline (PubChem CID 46853355) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline.

Molecular Properties

Compound Name4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline
PubChem CID46853355
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline
SMILESNc1ccc(-c2cnn3c(N4CCOCC4)ccnc23)cc1
InChIInChI=1S/C16H17N5O/c17-13-3-1-12(2-4-13)14-11-19-21-15(5-6-18-16(14)21)20-7-9-22-10-8-20/h1-6,11H,7-10,17H2
InChIKeyQRJGWCAQIOKUBH-UHFFFAOYSA-N
XLogP1.82
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.82
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-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline?
The IUPAC name of 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline (CID 46853355) is 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline.
What is the SMILES notation for 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline?
The canonical SMILES for 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline is Nc1ccc(-c2cnn3c(N4CCOCC4)ccnc23)cc1.
What is the InChIKey of 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline?
The InChIKey is QRJGWCAQIOKUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-13-3-1-12(2-4-13)14-11-19-21-15(5-6-18-16(14)21)20-7-9-22-10-8-20/h1-6,11H,7-10,17H2.
What are the key properties of 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline?
4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline has a molecular weight of 295.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)aniline is sourced from PubChem (CID 46853355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).