6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one

C19H18F2N4O3 — CID 166747249

IUPAC6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one
SMILESO=C(N1CCC(Oc2cccc(=O)[nH]2)C1)N1N=CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N4O3/c20-13-8-12(9-14(21)10-13)16-4-6-22-25(16)19(27)24-7-5-15(11-24)28-18-3-1-2-17(26)23-18/h1-3,6,8-10,15-16H,4-5,7,11H2,(H,23,26)
InChIKeyDVJOIWWLBMUQRE-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.66
Rot. Bonds3

About 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one

6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one (PubChem CID 166747249) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one
PubChem CID166747249
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one
SMILESO=C(N1CCC(Oc2cccc(=O)[nH]2)C1)N1N=CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N4O3/c20-13-8-12(9-14(21)10-13)16-4-6-22-25(16)19(27)24-7-5-15(11-24)28-18-3-1-2-17(26)23-18/h1-3,6,8-10,15-16H,4-5,7,11H2,(H,23,26)
InChIKeyDVJOIWWLBMUQRE-UHFFFAOYSA-N
XLogP2.66
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl] methanesulfonate
CID 156785824
5-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-2-fluorobenzonitrile
CID 166747332
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
CID 175152668
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 166747364
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 156785746
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
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(4-hydroxyphenoxy)azetidin-1-yl]methanone
CID 166753324
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 162385915
azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone
CID 157175016
[3-(5-bromo-2-fluorophenoxy)azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857503
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one (CID 166747249) is 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one is O=C(N1CCC(Oc2cccc(=O)[nH]2)C1)N1N=CCC1c1cc(F)cc(F)c1.
What is the InChIKey of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one?
The InChIKey is DVJOIWWLBMUQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c20-13-8-12(9-14(21)10-13)16-4-6-22-25(16)19(27)24-7-5-15(11-24)28-18-3-1-2-17(26)23-18/h1-3,6,8-10,15-16H,4-5,7,11H2,(H,23,26).
What are the key properties of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one?
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one has a molecular weight of 388.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 166747249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).