[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C22H20FN3O3 — CID 47847599

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20FN3O3/c23-16-3-1-4-17(14-16)26-10-8-18(24-26)22(27)25-9-2-5-19(25)15-6-7-20-21(13-15)29-12-11-28-20/h1,3-4,6-8,10,13-14,19H,2,5,9,11-12H2
InChIKeyBVUGZDVEBMACSH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.76
Rot. Bonds3

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 47847599) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID47847599
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20FN3O3/c23-16-3-1-4-17(14-16)26-10-8-18(24-26)22(27)25-9-2-5-19(25)15-6-7-20-21(13-15)29-12-11-28-20/h1,3-4,6-8,10,13-14,19H,2,5,9,11-12H2
InChIKeyBVUGZDVEBMACSH-UHFFFAOYSA-N
XLogP3.76
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 41132025
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 24512784
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95142953
[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 97006193

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 47847599) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is BVUGZDVEBMACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-16-3-1-4-17(14-16)26-10-8-18(24-26)22(27)25-9-2-5-19(25)15-6-7-20-21(13-15)29-12-11-28-20/h1,3-4,6-8,10,13-14,19H,2,5,9,11-12H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 393.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 47847599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).