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

C23H26FN3O — CID 110261272

IUPAC5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1cccc(OCCc2cc(C3CCN(CCc4ccccc4)C3)n[nH]2)c1
InChIInChI=1S/C23H26FN3O/c24-20-7-4-8-22(15-20)28-14-11-21-16-23(26-25-21)19-10-13-27(17-19)12-9-18-5-2-1-3-6-18/h1-8,15-16,19H,9-14,17H2,(H,25,26)
InChIKeyRMQMPKDALSDACQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.20
Rot. Bonds8

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

5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 110261272) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
PubChem CID110261272
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1cccc(OCCc2cc(C3CCN(CCc4ccccc4)C3)n[nH]2)c1
InChIInChI=1S/C23H26FN3O/c24-20-7-4-8-22(15-20)28-14-11-21-16-23(26-25-21)19-10-13-27(17-19)12-9-18-5-2-1-3-6-18/h1-8,15-16,19H,9-14,17H2,(H,25,26)
InChIKeyRMQMPKDALSDACQ-UHFFFAOYSA-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-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 95831342
1-[(3S)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 95831447
5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831365
1-[(3S)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831469
4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 95831564
5-[2-(3-methoxyphenoxy)ethyl]-3-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831669
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 110261465
1-methyl-5-[[(3R)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 95831704
2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine
CID 95831495
3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 110261321

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (CID 110261272) is 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is Fc1cccc(OCCc2cc(C3CCN(CCc4ccccc4)C3)n[nH]2)c1.
What is the InChIKey of 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is RMQMPKDALSDACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-20-7-4-8-22(15-20)28-14-11-21-16-23(26-25-21)19-10-13-27(17-19)12-9-18-5-2-1-3-6-18/h1-8,15-16,19H,9-14,17H2,(H,25,26).
What are the key properties of 5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
5-[2-(3-fluorophenoxy)ethyl]-3-[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-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 110261272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).