5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole

C15H18FN3O — CID 124948771

IUPAC5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1ccc(OCCN2CC[C@@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-10-9-19-8-6-12(11-19)15-5-7-17-18-15/h1-5,7,12H,6,8-11H2,(H,17,18)/t12-/m1/s1
InChIKeyCPFBIBJORCNXFG-GFCCVEGCSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds5

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

5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 124948771) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
PubChem CID124948771
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1ccc(OCCN2CC[C@@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-10-9-19-8-6-12(11-19)15-5-7-17-18-15/h1-5,7,12H,6,8-11H2,(H,17,18)/t12-/m1/s1
InChIKeyCPFBIBJORCNXFG-GFCCVEGCSA-N
XLogP2.42
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768716
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124958305
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 77086562
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927105
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 98768010
5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine
CID 100759471
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95846034

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole (CID 124948771) is 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole is Fc1ccc(OCCN2CC[C@@H](c3ccn[nH]3)C2)cc1.
What is the InChIKey of 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is CPFBIBJORCNXFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-10-9-19-8-6-12(11-19)15-5-7-17-18-15/h1-5,7,12H,6,8-11H2,(H,17,18)/t12-/m1/s1.
What are the key properties of 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole?
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 275.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 124948771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).