4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C19H22N4O — CID 4904826

IUPAC4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1
InChIInChI=1S/C19H22N4O/c1-13-4-6-16(7-5-13)18-15(3)21-23-17(12-14(2)20-19(18)23)22-8-10-24-11-9-22/h4-7,12H,8-11H2,1-3H3
InChIKeyANYHXEUMKUBVPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.16
Rot. Bonds2

About 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4904826) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4904826
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1
InChIInChI=1S/C19H22N4O/c1-13-4-6-16(7-5-13)18-15(3)21-23-17(12-14(2)20-19(18)23)22-8-10-24-11-9-22/h4-7,12H,8-11H2,1-3H3
InChIKeyANYHXEUMKUBVPX-UHFFFAOYSA-N
XLogP3.16
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4904826) is 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1.
What is the InChIKey of 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is ANYHXEUMKUBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-4-6-16(7-5-13)18-15(3)21-23-17(12-14(2)20-19(18)23)22-8-10-24-11-9-22/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4904826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).