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

C20H24ClN5O — CID 667170

IUPAC3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-15-13-19(22-7-2-8-25-9-11-27-12-10-25)26-20(24-15)18(14-23-26)16-3-5-17(21)6-4-16/h3-6,13-14,22H,2,7-12H2,1H3
InChIKeySBFMYJSRQFTRIZ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.49
Rot. Bonds6

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

3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 667170) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID667170
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-15-13-19(22-7-2-8-25-9-11-27-12-10-25)26-20(24-15)18(14-23-26)16-3-5-17(21)6-4-16/h3-6,13-14,22H,2,7-12H2,1H3
InChIKeySBFMYJSRQFTRIZ-UHFFFAOYSA-N
XLogP3.49
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.49
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 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 667170) is 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SBFMYJSRQFTRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-15-13-19(22-7-2-8-25-9-11-27-12-10-25)26-20(24-15)18(14-23-26)16-3-5-17(21)6-4-16/h3-6,13-14,22H,2,7-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 385.90 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 667170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).