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

C21H25N3O2 — CID 135355367

IUPAC1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(C)COc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)14-26-20-10-21(25)23(4)13-19(20)18-11-22-24(12-18)16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3
InChIKeyZGWLCPANXXSIMG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.89
Rot. Bonds6

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

1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355367) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355367
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(C)COc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)14-26-20-10-21(25)23(4)13-19(20)18-11-22-24(12-18)16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3
InChIKeyZGWLCPANXXSIMG-UHFFFAOYSA-N
XLogP3.89
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355367) is 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(C)COc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is ZGWLCPANXXSIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)14-26-20-10-21(25)23(4)13-19(20)18-11-22-24(12-18)16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropoxy)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).