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

C21H24N4O — CID 135355278

IUPAC1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one
SMILESC[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCCC2)cn1
InChIInChI=1S/C21H24N4O/c1-16(17-8-4-3-5-9-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-10-6-7-11-24/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3/t16-/m1/s1
InChIKeyVLBHAFKKGCSTGF-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.46
Rot. Bonds4

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

1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one (PubChem CID 135355278) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one
PubChem CID135355278
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one
SMILESC[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCCC2)cn1
InChIInChI=1S/C21H24N4O/c1-16(17-8-4-3-5-9-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-10-6-7-11-24/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3/t16-/m1/s1
InChIKeyVLBHAFKKGCSTGF-MRXNPFEDSA-N
XLogP3.46
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one (CID 135355278) is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one is C[C@H](c1ccccc1)n1cc(-c2cn(C)c(=O)cc2N2CCCC2)cn1.
What is the InChIKey of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one?
The InChIKey is VLBHAFKKGCSTGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16(17-8-4-3-5-9-17)25-14-18(13-22-25)19-15-23(2)21(26)12-20(19)24-10-6-7-11-24/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one?
1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyridin-2-one is sourced from PubChem (CID 135355278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).