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

C23H22N4O — CID 1441397

IUPAC4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C23H22N4O/c1-17-7-9-19(10-8-17)21-15-22-24-20(18-5-3-2-4-6-18)16-23(27(22)25-21)26-11-13-28-14-12-26/h2-10,15-16H,11-14H2,1H3
InChIKeyFHMOUNRLBJMPDW-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.21
Rot. Bonds3

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

4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 1441397) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID1441397
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C23H22N4O/c1-17-7-9-19(10-8-17)21-15-22-24-20(18-5-3-2-4-6-18)16-23(27(22)25-21)26-11-13-28-14-12-26/h2-10,15-16H,11-14H2,1H3
InChIKeyFHMOUNRLBJMPDW-UHFFFAOYSA-N
XLogP4.21
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 1441397) is 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is FHMOUNRLBJMPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-7-9-19(10-8-17)21-15-22-24-20(18-5-3-2-4-6-18)16-23(27(22)25-21)26-11-13-28-14-12-26/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 370.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 1441397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).