1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C18H24N4O2 — CID 95736080

IUPAC1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1c([C@H]2CCCN2C(=O)Cc2ccc(C)nc2)c(C)nn1C
InChIInChI=1S/C18H24N4O2/c1-12-7-8-14(11-19-12)10-16(23)22-9-5-6-15(22)17-13(2)20-21(3)18(17)24-4/h7-8,11,15H,5-6,9-10H2,1-4H3/t15-/m1/s1
InChIKeyUJYUQFMETUFYMR-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 95736080) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID95736080
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1c([C@H]2CCCN2C(=O)Cc2ccc(C)nc2)c(C)nn1C
InChIInChI=1S/C18H24N4O2/c1-12-7-8-14(11-19-12)10-16(23)22-9-5-6-15(22)17-13(2)20-21(3)18(17)24-4/h7-8,11,15H,5-6,9-10H2,1-4H3/t15-/m1/s1
InChIKeyUJYUQFMETUFYMR-OAHLLOKOSA-N
XLogP2.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125145404
[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477
2-(6-methyl-3-pyridinyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95371203
2-(6-methyl-3-pyridinyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 56817506

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 95736080) is 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is COc1c([C@H]2CCCN2C(=O)Cc2ccc(C)nc2)c(C)nn1C.
What is the InChIKey of 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is UJYUQFMETUFYMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-7-8-14(11-19-12)10-16(23)22-9-5-6-15(22)17-13(2)20-21(3)18(17)24-4/h7-8,11,15H,5-6,9-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 95736080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).