2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine

C18H16FN3O2 — CID 68642390

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine
SMILESCC1OC(c2cc(-c3ccccn3)nn2Cc2ccccc2F)O1
InChIInChI=1S/C18H16FN3O2/c1-12-23-18(24-12)17-10-16(15-8-4-5-9-20-15)21-22(17)11-13-6-2-3-7-14(13)19/h2-10,12,18H,11H2,1H3
InChIKeyITRWECRRODZTSQ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.52
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine

2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 68642390) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine
PubChem CID68642390
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine
SMILESCC1OC(c2cc(-c3ccccn3)nn2Cc2ccccc2F)O1
InChIInChI=1S/C18H16FN3O2/c1-12-23-18(24-12)17-10-16(15-8-4-5-9-20-15)21-22(17)11-13-6-2-3-7-14(13)19/h2-10,12,18H,11H2,1H3
InChIKeyITRWECRRODZTSQ-UHFFFAOYSA-N
XLogP3.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine (CID 68642390) is 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine is CC1OC(c2cc(-c3ccccn3)nn2Cc2ccccc2F)O1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is ITRWECRRODZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-23-18(24-12)17-10-16(15-8-4-5-9-20-15)21-22(17)11-13-6-2-3-7-14(13)19/h2-10,12,18H,11H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine?
2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 325.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-dioxetan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 68642390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).