[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C20H20FN3O2 — CID 156785746

IUPAC[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(N1CC[C@@H](Oc2ccccc2F)C1)N1N=CCC1c1ccccc1
InChIInChI=1S/C20H20FN3O2/c21-17-8-4-5-9-19(17)26-16-11-13-23(14-16)20(25)24-18(10-12-22-24)15-6-2-1-3-7-15/h1-9,12,16,18H,10-11,13-14H2/t16-,18?/m1/s1
InChIKeyUIEXPKFRMSQDJC-PYUWXLGESA-N
MW353.40 g/mol
LogP3.83
Rot. Bonds3

About [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 156785746) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID156785746
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(N1CC[C@@H](Oc2ccccc2F)C1)N1N=CCC1c1ccccc1
InChIInChI=1S/C20H20FN3O2/c21-17-8-4-5-9-19(17)26-16-11-13-23(14-16)20(25)24-18(10-12-22-24)15-6-2-1-3-7-15/h1-9,12,16,18H,10-11,13-14H2/t16-,18?/m1/s1
InChIKeyUIEXPKFRMSQDJC-PYUWXLGESA-N
XLogP3.83
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 166747364
[3-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 162385915
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one
CID 166747249
5-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-2-fluorobenzonitrile
CID 166747332
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
CID 168806655
[3-(5-bromo-2-fluorophenoxy)azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857503
[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl] methanesulfonate
CID 156785824
CID 131869061
CID 131869061
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
CID 175152668
6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 156785810
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 156785746) is [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(N1CC[C@@H](Oc2ccccc2F)C1)N1N=CCC1c1ccccc1.
What is the InChIKey of [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is UIEXPKFRMSQDJC-PYUWXLGESA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-8-4-5-9-19(17)26-16-11-13-23(14-16)20(25)24-18(10-12-22-24)15-6-2-1-3-7-15/h1-9,12,16,18H,10-11,13-14H2/t16-,18?/m1/s1.
What are the key properties of [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 156785746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).