5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H25N5O — CID 665812

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5O/c1-16-14-19(21-8-5-9-24-10-12-26-13-11-24)25-20(23-16)18(15-22-25)17-6-3-2-4-7-17/h2-4,6-7,14-15,21H,5,8-13H2,1H3
InChIKeyYYGYBGNUANEBEB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds6

About 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 665812) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID665812
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5O/c1-16-14-19(21-8-5-9-24-10-12-26-13-11-24)25-20(23-16)18(15-22-25)17-6-3-2-4-7-17/h2-4,6-7,14-15,21H,5,8-13H2,1H3
InChIKeyYYGYBGNUANEBEB-UHFFFAOYSA-N
XLogP2.84
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 665812) is 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YYGYBGNUANEBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16-14-19(21-8-5-9-24-10-12-26-13-11-24)25-20(23-16)18(15-22-25)17-6-3-2-4-7-17/h2-4,6-7,14-15,21H,5,8-13H2,1H3.
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 665812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).