1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C15H17FN4O — CID 163513422

IUPAC1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ccc(-c3ccc(F)c(C)n3)n2)C1
InChIInChI=1S/C15H17FN4O/c1-10-13(16)3-4-14(17-10)15-6-8-20(18-15)12-5-7-19(9-12)11(2)21/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyDERCRIXAOOIKPS-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.19
Rot. Bonds2

About 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 163513422) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID163513422
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ccc(-c3ccc(F)c(C)n3)n2)C1
InChIInChI=1S/C15H17FN4O/c1-10-13(16)3-4-14(17-10)15-6-8-20(18-15)12-5-7-19(9-12)11(2)21/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyDERCRIXAOOIKPS-UHFFFAOYSA-N
XLogP2.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-methylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004090
N-[1-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128997241
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327403
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608
2-(1-cyclopropylpyrazol-3-yl)-3-(2,6-diethylphenyl)-5-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxypyrimidin-4-one
CID 137198146
3-(4-fluoro-3-methylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121150887
(5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757450
(2,5-difluorophenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757455
N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335452

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 163513422) is 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(n2ccc(-c3ccc(F)c(C)n3)n2)C1.
What is the InChIKey of 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DERCRIXAOOIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-13(16)3-4-14(17-10)15-6-8-20(18-15)12-5-7-19(9-12)11(2)21/h3-4,6,8,12H,5,7,9H2,1-2H3.
What are the key properties of 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 288.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 163513422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).