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

C17H17N3O — CID 135355236

IUPAC1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one
SMILESC[C@@H](c1ccccc1)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C17H17N3O/c1-13(14-6-4-3-5-7-14)20-12-16(10-18-20)15-8-9-17(21)19(2)11-15/h3-13H,1-2H3/t13-/m0/s1
InChIKeyMHECQGJNIIBSGM-ZDUSSCGKSA-N
MW279.34 g/mol
LogP2.86
Rot. Bonds3

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

1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355236) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355236
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one
SMILESC[C@@H](c1ccccc1)n1cc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C17H17N3O/c1-13(14-6-4-3-5-7-14)20-12-16(10-18-20)15-8-9-17(21)19(2)11-15/h3-13H,1-2H3/t13-/m0/s1
InChIKeyMHECQGJNIIBSGM-ZDUSSCGKSA-N
XLogP2.86
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one (CID 135355236) is 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one is C[C@@H](c1ccccc1)n1cc(-c2ccc(=O)n(C)c2)cn1.
What is the InChIKey of 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is MHECQGJNIIBSGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(14-6-4-3-5-7-14)20-12-16(10-18-20)15-8-9-17(21)19(2)11-15/h3-13H,1-2H3/t13-/m0/s1.
What are the key properties of 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one?
1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).