4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C19H22N4O2 — CID 4179586

IUPAC4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCOCC3)cc(C)nc12
InChIInChI=1S/C19H22N4O2/c1-13-12-17(22-8-10-25-11-9-22)23-19(20-13)18(14(2)21-23)15-6-4-5-7-16(15)24-3/h4-7,12H,8-11H2,1-3H3
InChIKeyZZOADEUFAMRFIJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.86
Rot. Bonds3

About 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4179586) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4179586
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCOCC3)cc(C)nc12
InChIInChI=1S/C19H22N4O2/c1-13-12-17(22-8-10-25-11-9-22)23-19(20-13)18(14(2)21-23)15-6-4-5-7-16(15)24-3/h4-7,12H,8-11H2,1-3H3
InChIKeyZZOADEUFAMRFIJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4179586) is 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is COc1ccccc1-c1c(C)nn2c(N3CCOCC3)cc(C)nc12.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is ZZOADEUFAMRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-12-17(22-8-10-25-11-9-22)23-19(20-13)18(14(2)21-23)15-6-4-5-7-16(15)24-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4179586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).