[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C20H16F4N4O2 — CID 122250960

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H16F4N4O2/c1-27-17(9-16(26-27)12-4-6-13(21)7-5-12)19(29)28-10-14(11-28)30-18-15(20(22,23)24)3-2-8-25-18/h2-9,14H,10-11H2,1H3
InChIKeyMZENBQQSYPXJCS-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.54
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122250960) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122250960
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H16F4N4O2/c1-27-17(9-16(26-27)12-4-6-13(21)7-5-12)19(29)28-10-14(11-28)30-18-15(20(22,23)24)3-2-8-25-18/h2-9,14H,10-11H2,1H3
InChIKeyMZENBQQSYPXJCS-UHFFFAOYSA-N
XLogP3.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122250960) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is MZENBQQSYPXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-27-17(9-16(26-27)12-4-6-13(21)7-5-12)19(29)28-10-14(11-28)30-18-15(20(22,23)24)3-2-8-25-18/h2-9,14H,10-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 420.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122250960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).