3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C15H14Cl2N2O2 — CID 58077323

IUPAC3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCCc1nn2c(c1Oc1cc(Cl)cc(Cl)c1)C(=O)CCC2
InChIInChI=1S/C15H14Cl2N2O2/c1-2-12-15(14-13(20)4-3-5-19(14)18-12)21-11-7-9(16)6-10(17)8-11/h6-8H,2-5H2,1H3
InChIKeyDCYBVRFCMWMGOS-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.52
Rot. Bonds3

About 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 58077323) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
PubChem CID58077323
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCCc1nn2c(c1Oc1cc(Cl)cc(Cl)c1)C(=O)CCC2
InChIInChI=1S/C15H14Cl2N2O2/c1-2-12-15(14-13(20)4-3-5-19(14)18-12)21-11-7-9(16)6-10(17)8-11/h6-8H,2-5H2,1H3
InChIKeyDCYBVRFCMWMGOS-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 58077323) is 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is CCc1nn2c(c1Oc1cc(Cl)cc(Cl)c1)C(=O)CCC2.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The InChIKey is DCYBVRFCMWMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-12-15(14-13(20)4-3-5-19(14)18-12)21-11-7-9(16)6-10(17)8-11/h6-8H,2-5H2,1H3.
What are the key properties of 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 325.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 58077323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).