5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole

C23H26FN3O — CID 95831342

IUPAC5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1ccccc1OCCc1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C23H26FN3O/c24-21-8-4-5-9-23(21)28-15-12-20-16-22(26-25-20)19-11-14-27(17-19)13-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,25,26)/t19-/m1/s1
InChIKeyAXKZRKDADXLYHU-LJQANCHMSA-N
MW379.48 g/mol
LogP4.20
Rot. Bonds8

About 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole

5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95831342) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
PubChem CID95831342
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1ccccc1OCCc1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C23H26FN3O/c24-21-8-4-5-9-23(21)28-15-12-20-16-22(26-25-20)19-11-14-27(17-19)13-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,25,26)/t19-/m1/s1
InChIKeyAXKZRKDADXLYHU-LJQANCHMSA-N
XLogP4.20
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 110261272
1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95831371
3-(1-cyclopentylsulfonylpyrrolidin-3-yl)-5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazole
CID 110261543
1-ethyl-4-[[(3R)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-3-methylpyrazole
CID 95831706
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980221
(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980222
2-[[3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267492
1-[3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110261548
3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110261314
5-[2-(2-chlorophenoxy)ethyl]-3-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 110261458
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (CID 95831342) is 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is Fc1ccccc1OCCc1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1.
What is the InChIKey of 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is AXKZRKDADXLYHU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-21-8-4-5-9-23(21)28-15-12-20-16-22(26-25-20)19-11-14-27(17-19)13-10-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2,(H,25,26)/t19-/m1/s1.
What are the key properties of 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 379.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95831342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).