2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine

C21H13F2N3O2 — CID 142637114

IUPAC2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C21H13F2N3O2/c22-14-5-6-15(16(23)10-14)17-11-18(26(25-17)21-3-1-2-8-24-21)13-4-7-19-20(9-13)28-12-27-19/h1-11H,12H2
InChIKeyMUJFUDJVSHPLIW-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.61
Rot. Bonds3

About 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine

2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine (PubChem CID 142637114) has the molecular formula C21H13F2N3O2 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine
PubChem CID142637114
Molecular FormulaC21H13F2N3O2
Molecular Weight377.35 g/mol
Exact Mass377.10
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C21H13F2N3O2/c22-14-5-6-15(16(23)10-14)17-11-18(26(25-17)21-3-1-2-8-24-21)13-4-7-19-20(9-13)28-12-27-19/h1-11H,12H2
InChIKeyMUJFUDJVSHPLIW-UHFFFAOYSA-N
XLogP4.61
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzonitrile
CID 141141743
4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]benzonitrile
CID 45272029
5-(1,3-benzodioxol-5-yl)-3-bromo-1-(4-fluorophenyl)pyrazole
CID 54763252
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
CID 45273800
2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine
CID 90710858
3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole
CID 54578711
[6-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 68758964
4-[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazol-2-yl]methyl]benzonitrile
CID 142669585
11-(1,3-benzodioxol-5-yl)-3-methyl-5-pyridin-2-yl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506110

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine (CID 142637114) is 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine is Fc1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccn3)n2)c(F)c1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine?
The InChIKey is MUJFUDJVSHPLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2/c22-14-5-6-15(16(23)10-14)17-11-18(26(25-17)21-3-1-2-8-24-21)13-4-7-19-20(9-13)28-12-27-19/h1-11H,12H2.
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine?
2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine has a molecular weight of 377.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 142637114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).