1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

C14H10Cl2N2O2 — CID 712454

IUPAC1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C)nn2-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c1-7-3-12(19)20-14-13(7)8(2)17-18(14)11-5-9(15)4-10(16)6-11/h3-6H,1-2H3
InChIKeyFWJFMVAVQIAILE-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.90
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 712454) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID712454
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C)nn2-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c1-7-3-12(19)20-14-13(7)8(2)17-18(14)11-5-9(15)4-10(16)6-11/h3-6H,1-2H3
InChIKeyFWJFMVAVQIAILE-UHFFFAOYSA-N
XLogP3.90
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 712454) is 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is Cc1cc(=O)oc2c1c(C)nn2-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is FWJFMVAVQIAILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-7-3-12(19)20-14-13(7)8(2)17-18(14)11-5-9(15)4-10(16)6-11/h3-6H,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 309.15 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 712454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).