4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one

C19H16FN3O4 — CID 121155625

IUPAC4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)o1
InChIInChI=1S/C19H16FN3O4/c1-11-6-14(7-18(24)26-11)27-15-9-23(10-15)19(25)17-8-16(21-22-17)12-2-4-13(20)5-3-12/h2-8,15H,9-10H2,1H3,(H,21,22)
InChIKeyWAMIJAQLCYEQHC-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one

4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 121155625) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID121155625
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)o1
InChIInChI=1S/C19H16FN3O4/c1-11-6-14(7-18(24)26-11)27-15-9-23(10-15)19(25)17-8-16(21-22-17)12-2-4-13(20)5-3-12/h2-8,15H,9-10H2,1H3,(H,21,22)
InChIKeyWAMIJAQLCYEQHC-UHFFFAOYSA-N
XLogP2.38
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxypyran-2-one
CID 86265508
4-[1-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155545
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
4-[1-(2H-benzotriazole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155573
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155565
4-[1-(2,4-dimethylbenzoyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155598
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
CID 126851385
(5-bromofuran-2-yl)-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910900
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70754674

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one (CID 121155625) is 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one is Cc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)o1.
What is the InChIKey of 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is WAMIJAQLCYEQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-11-6-14(7-18(24)26-11)27-15-9-23(10-15)19(25)17-8-16(21-22-17)12-2-4-13(20)5-3-12/h2-8,15H,9-10H2,1H3,(H,21,22).
What are the key properties of 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 369.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 121155625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).