5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile

C19H15N5O2 — CID 10405278

IUPAC5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile
SMILESCCc1nn(C)c(Oc2ccccn2)c1Oc1cc(C#N)cc(C#N)c1
InChIInChI=1S/C19H15N5O2/c1-3-16-18(25-15-9-13(11-20)8-14(10-15)12-21)19(24(2)23-16)26-17-6-4-5-7-22-17/h4-10H,3H2,1-2H3
InChIKeyDAXDBPFDRYQLGS-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.71
Rot. Bonds5

About 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile

5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile (PubChem CID 10405278) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile
PubChem CID10405278
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile
SMILESCCc1nn(C)c(Oc2ccccn2)c1Oc1cc(C#N)cc(C#N)c1
InChIInChI=1S/C19H15N5O2/c1-3-16-18(25-15-9-13(11-20)8-14(10-15)12-21)19(24(2)23-16)26-17-6-4-5-7-22-17/h4-10H,3H2,1-2H3
InChIKeyDAXDBPFDRYQLGS-UHFFFAOYSA-N
XLogP3.71
TPSA96.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile?
The IUPAC name of 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile (CID 10405278) is 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile is CCc1nn(C)c(Oc2ccccn2)c1Oc1cc(C#N)cc(C#N)c1.
What is the InChIKey of 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile?
The InChIKey is DAXDBPFDRYQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-3-16-18(25-15-9-13(11-20)8-14(10-15)12-21)19(24(2)23-16)26-17-6-4-5-7-22-17/h4-10H,3H2,1-2H3.
What are the key properties of 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile?
5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile has a molecular weight of 345.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methyl-5-pyridin-2-yloxypyrazol-4-yl)oxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 10405278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).