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

C21H23N3O2 — CID 135355312

IUPAC4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCC2)cn1
InChIInChI=1S/C21H23N3O2/c1-15(16-7-4-3-5-8-16)24-13-17(12-22-24)19-14-23(2)21(25)11-20(19)26-18-9-6-10-18/h3-5,7-8,11-15,18H,6,9-10H2,1-2H3
InChIKeyRCBAQDREMNGMIP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.79
Rot. Bonds5

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

4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355312) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355312
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCC2)cn1
InChIInChI=1S/C21H23N3O2/c1-15(16-7-4-3-5-8-16)24-13-17(12-22-24)19-14-23(2)21(25)11-20(19)26-18-9-6-10-18/h3-5,7-8,11-15,18H,6,9-10H2,1-2H3
InChIKeyRCBAQDREMNGMIP-UHFFFAOYSA-N
XLogP3.79
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355312) is 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCC2)cn1.
What is the InChIKey of 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is RCBAQDREMNGMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(16-7-4-3-5-8-16)24-13-17(12-22-24)19-14-23(2)21(25)11-20(19)26-18-9-6-10-18/h3-5,7-8,11-15,18H,6,9-10H2,1-2H3.
What are the key properties of 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).