1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C21H24N4O2 — CID 135355242

IUPAC1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCOCC2)cn1
InChIInChI=1S/C21H24N4O2/c1-16(17-6-4-3-5-7-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-8-10-27-11-9-24/h3-7,12-16H,8-11H2,1-2H3
InChIKeyCXRSFLCEAGUDNZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.69
Rot. Bonds4

About 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355242) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355242
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCOCC2)cn1
InChIInChI=1S/C21H24N4O2/c1-16(17-6-4-3-5-7-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-8-10-27-11-9-24/h3-7,12-16H,8-11H2,1-2H3
InChIKeyCXRSFLCEAGUDNZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355242) is 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCOCC2)cn1.
What is the InChIKey of 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is CXRSFLCEAGUDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(17-6-4-3-5-7-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-8-10-27-11-9-24/h3-7,12-16H,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-yl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).