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

C20H23N3O2 — CID 135355496

IUPAC1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one
SMILESCC(C)Oc1cc(=O)n(C)cc1-c1cnn([C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-5-7-9-16/h5-15H,1-4H3/t15-/m1/s1
InChIKeyUXAYTFVXOIDWOP-OAHLLOKOSA-N
MW337.42 g/mol
LogP3.65
Rot. Bonds5

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

1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one (PubChem CID 135355496) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one
PubChem CID135355496
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one
SMILESCC(C)Oc1cc(=O)n(C)cc1-c1cnn([C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-5-7-9-16/h5-15H,1-4H3/t15-/m1/s1
InChIKeyUXAYTFVXOIDWOP-OAHLLOKOSA-N
XLogP3.65
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
CID 135355514
1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
CID 135355266
2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile
CID 135355129
3-chloro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355261
4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355616
4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one
CID 140929050
4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57480633
(4R)-4-methyl-6-[1-(1-phenylethyl)pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277864
2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
CID 165152472
1-[(1S)-1-phenylethyl]pyrazole-4-carbonyl chloride
CID 58117230
ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol
CID 155311910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one (CID 135355496) is 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one is CC(C)Oc1cc(=O)n(C)cc1-c1cnn([C@H](C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one?
The InChIKey is UXAYTFVXOIDWOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-5-7-9-16/h5-15H,1-4H3/t15-/m1/s1.
What are the key properties of 1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one?
1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.65, 5 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-propan-2-yloxypyridin-2-one is sourced from PubChem (CID 135355496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).