(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone

C18H22FN3O2 — CID 91919961

IUPAC(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-22-17(7-10-20-22)18(23)21-11-8-14(13-21)9-12-24-16-5-3-15(19)4-6-16/h3-7,10,14H,2,8-9,11-13H2,1H3
InChIKeyUFYMATCYXYNLPO-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.97
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 91919961) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
PubChem CID91919961
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-22-17(7-10-20-22)18(23)21-11-8-14(13-21)9-12-24-16-5-3-15(19)4-6-16/h3-7,10,14H,2,8-9,11-13H2,1H3
InChIKeyUFYMATCYXYNLPO-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone (CID 91919961) is (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(CCOc2ccc(F)cc2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is UFYMATCYXYNLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-22-17(7-10-20-22)18(23)21-11-8-14(13-21)9-12-24-16-5-3-15(19)4-6-16/h3-7,10,14H,2,8-9,11-13H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91919961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).