2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone

C21H20FN3O2 — CID 58195254

IUPAC2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1)N1CCCC1
InChIInChI=1S/C21H20FN3O2/c22-16-7-5-6-15(12-16)18-13-19(24-23-18)17-8-1-2-9-20(17)27-14-21(26)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,24)
InChIKeyISXBYKCQRYQGHZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 58195254) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID58195254
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1)N1CCCC1
InChIInChI=1S/C21H20FN3O2/c22-16-7-5-6-15(12-16)18-13-19(24-23-18)17-8-1-2-9-20(17)27-14-21(26)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,24)
InChIKeyISXBYKCQRYQGHZ-UHFFFAOYSA-N
XLogP3.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone 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

2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 91959140
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 70724052
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
3-[5-(2,5-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357515
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[2-(azetidin-1-yl)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 58195254) is 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1)N1CCCC1.
What is the InChIKey of 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is ISXBYKCQRYQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-7-5-6-15(12-16)18-13-19(24-23-18)17-8-1-2-9-20(17)27-14-21(26)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,24).
What are the key properties of 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 365.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 58195254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).