1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C24H26FN3O2 — CID 95831371

IUPAC1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1
InChIInChI=1S/C24H26FN3O2/c25-21-8-4-5-9-23(21)30-15-13-20-16-22(27-26-20)19-12-14-28(17-19)24(29)11-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,26,27)/t19-/m0/s1
InChIKeyZVYVAVHRGLFZIB-IBGZPJMESA-N
MW407.49 g/mol
LogP4.12
Rot. Bonds8

About 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 95831371) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID95831371
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1
InChIInChI=1S/C24H26FN3O2/c25-21-8-4-5-9-23(21)30-15-13-20-16-22(27-26-20)19-12-14-28(17-19)24(29)11-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,26,27)/t19-/m0/s1
InChIKeyZVYVAVHRGLFZIB-IBGZPJMESA-N
XLogP4.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one 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-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110261548
5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 95831342
3-(1-cyclopentylsulfonylpyrrolidin-3-yl)-5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazole
CID 110261543
1-[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 95831644
1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110261325
1-[3-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110261505
[(3S)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838076
3-(2-fluorophenoxy)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 124985901
2-(2,4-difluorophenoxy)-1-[3-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 127249524
[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 95831718
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one
CID 127249457

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 95831371) is 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1.
What is the InChIKey of 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ZVYVAVHRGLFZIB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-8-4-5-9-23(21)30-15-13-20-16-22(27-26-20)19-12-14-28(17-19)24(29)11-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,26,27)/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 407.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 95831371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).