[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H16FN3O2 — CID 110196219

IUPAC[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2/c1-18-14(5-7-17-18)15(20)19-8-6-13(10-19)21-12-4-2-3-11(16)9-12/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyILUJFYLJACXIDL-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.85
Rot. Bonds3

About [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110196219) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110196219
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2/c1-18-14(5-7-17-18)15(20)19-8-6-13(10-19)21-12-4-2-3-11(16)9-12/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyILUJFYLJACXIDL-UHFFFAOYSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
[3-(3-chlorophenoxy)pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 75391812
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
(5-fluoro-1,3-dimethylindol-2-yl)-[(3S)-3-phenoxypyrrolidin-1-yl]methanone
CID 126450498
(2-methylpyrazol-3-yl)-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91914182
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 86286555
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110196219) is [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(Oc2cccc(F)c2)C1.
What is the InChIKey of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ILUJFYLJACXIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-18-14(5-7-17-18)15(20)19-8-6-13(10-19)21-12-4-2-3-11(16)9-12/h2-5,7,9,13H,6,8,10H2,1H3.
What are the key properties of [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110196219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).