4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C21H26N4O3 — CID 1441348

IUPAC4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-5-18-14(2)22-20-13-19(15-10-16(26-3)12-17(11-15)27-4)23-25(20)21(18)24-6-8-28-9-7-24/h10-13H,5-9H2,1-4H3
InChIKeyQQQRCVDITDWARS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.12
Rot. Bonds5

About 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 1441348) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID1441348
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-5-18-14(2)22-20-13-19(15-10-16(26-3)12-17(11-15)27-4)23-25(20)21(18)24-6-8-28-9-7-24/h10-13H,5-9H2,1-4H3
InChIKeyQQQRCVDITDWARS-UHFFFAOYSA-N
XLogP3.12
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 1441348) is 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCOCC1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is QQQRCVDITDWARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-5-18-14(2)22-20-13-19(15-10-16(26-3)12-17(11-15)27-4)23-25(20)21(18)24-6-8-28-9-7-24/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 382.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 1441348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).