[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

C22H23N3O2 — CID 55668774

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-19-12-10-17(11-13-19)21-9-6-15-24(21)22(26)20-14-16-25(23-20)18-7-4-3-5-8-18/h3-5,7-8,10-14,16,21H,2,6,9,15H2,1H3
InChIKeyWAYPLOIIBWDGAD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.25
Rot. Bonds5

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (PubChem CID 55668774) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
PubChem CID55668774
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-19-12-10-17(11-13-19)21-9-6-15-24(21)22(26)20-14-16-25(23-20)18-7-4-3-5-8-18/h3-5,7-8,10-14,16,21H,2,6,9,15H2,1H3
InChIKeyWAYPLOIIBWDGAD-UHFFFAOYSA-N
XLogP4.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (CID 55668774) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is CCOc1ccc(C2CCCN2C(=O)c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is WAYPLOIIBWDGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-27-19-12-10-17(11-13-19)21-9-6-15-24(21)22(26)20-14-16-25(23-20)18-7-4-3-5-8-18/h3-5,7-8,10-14,16,21H,2,6,9,15H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 55668774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).