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

C16H15ClN2O2 — CID 50888600

IUPAC1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1c(C)c2c(C)nn(-c3cccc(Cl)c3)c2oc1=O
InChIInChI=1S/C16H15ClN2O2/c1-4-13-9(2)14-10(3)18-19(15(14)21-16(13)20)12-7-5-6-11(17)8-12/h5-8H,4H2,1-3H3
InChIKeyXILGSTDCIWNDNL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.81
Rot. Bonds2

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

1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 50888600) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID50888600
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1c(C)c2c(C)nn(-c3cccc(Cl)c3)c2oc1=O
InChIInChI=1S/C16H15ClN2O2/c1-4-13-9(2)14-10(3)18-19(15(14)21-16(13)20)12-7-5-6-11(17)8-12/h5-8H,4H2,1-3H3
InChIKeyXILGSTDCIWNDNL-UHFFFAOYSA-N
XLogP3.81
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 50888600) is 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is CCc1c(C)c2c(C)nn(-c3cccc(Cl)c3)c2oc1=O.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is XILGSTDCIWNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-4-13-9(2)14-10(3)18-19(15(14)21-16(13)20)12-7-5-6-11(17)8-12/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 302.76 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 50888600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).