1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one

C20H19N5O — CID 135355263

IUPAC1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
SMILESC[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2-n2cccn2)cn1
InChIInChI=1S/C20H19N5O/c1-15(16-7-4-3-5-8-16)25-13-17(12-22-25)18-14-23(2)20(26)11-19(18)24-10-6-9-21-24/h3-15H,1-2H3/t15-/m1/s1
InChIKeyAVTRHNKCJKDGPZ-OAHLLOKOSA-N
MW345.41 g/mol
LogP3.04
Rot. Bonds4

About 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one

1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one (PubChem CID 135355263) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
PubChem CID135355263
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
SMILESC[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2-n2cccn2)cn1
InChIInChI=1S/C20H19N5O/c1-15(16-7-4-3-5-8-16)25-13-17(12-22-25)18-14-23(2)20(26)11-19(18)24-10-6-9-21-24/h3-15H,1-2H3/t15-/m1/s1
InChIKeyAVTRHNKCJKDGPZ-OAHLLOKOSA-N
XLogP3.04
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one (CID 135355263) is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one is C[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2-n2cccn2)cn1.
What is the InChIKey of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one?
The InChIKey is AVTRHNKCJKDGPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N5O/c1-15(16-7-4-3-5-8-16)25-13-17(12-22-25)18-14-23(2)20(26)11-19(18)24-10-6-9-21-24/h3-15H,1-2H3/t15-/m1/s1.
What are the key properties of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one?
1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one is sourced from PubChem (CID 135355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).