5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one

C16H16N2O2 — CID 700657

IUPAC5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O
InChIInChI=1S/C16H16N2O2/c1-4-13-10(2)14-11(3)17-18(15(14)20-16(13)19)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyDHNVBODAHSONDJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.16
Rot. Bonds2

About 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one

5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one (PubChem CID 700657) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
PubChem CID700657
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O
InChIInChI=1S/C16H16N2O2/c1-4-13-10(2)14-11(3)17-18(15(14)20-16(13)19)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyDHNVBODAHSONDJ-UHFFFAOYSA-N
XLogP3.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one (CID 700657) is 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one is CCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O.
What is the InChIKey of 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is DHNVBODAHSONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-13-10(2)14-11(3)17-18(15(14)20-16(13)19)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one?
5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 268.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 700657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).