(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C16H18FN3O — CID 50747092

IUPAC(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3O/c1-2-19-10-8-14(18-19)16(21)20-9-4-7-15(20)12-5-3-6-13(17)11-12/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3
InChIKeyFTDZSEZVSISXAZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.02
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747092) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID50747092
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3O/c1-2-19-10-8-14(18-19)16(21)20-9-4-7-15(20)12-5-3-6-13(17)11-12/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3
InChIKeyFTDZSEZVSISXAZ-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56816863
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47847599
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 50747092) is (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC2c2cccc(F)c2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is FTDZSEZVSISXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-19-10-8-14(18-19)16(21)20-9-4-7-15(20)12-5-3-6-13(17)11-12/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).