5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole

C18H24FN3O — CID 95831303

IUPAC5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole
SMILESCCCN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C18H24FN3O/c1-2-9-22-10-7-14(13-22)18-12-16(20-21-18)8-11-23-17-5-3-15(19)4-6-17/h3-6,12,14H,2,7-11,13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyVMUZTLRNBVWVFX-AWEZNQCLSA-N
MW317.41 g/mol
LogP3.37
Rot. Bonds7

About 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole

5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95831303) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID95831303
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole
SMILESCCCN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C18H24FN3O/c1-2-9-22-10-7-14(13-22)18-12-16(20-21-18)8-11-23-17-5-3-15(19)4-6-17/h3-6,12,14H,2,7-11,13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyVMUZTLRNBVWVFX-AWEZNQCLSA-N
XLogP3.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole (CID 95831303) is 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole is CCCN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is VMUZTLRNBVWVFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-9-22-10-7-14(13-22)18-12-16(20-21-18)8-11-23-17-5-3-15(19)4-6-17/h3-6,12,14H,2,7-11,13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole?
5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 317.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)ethyl]-3-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95831303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).