2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one

C9H10N2O2 — CID 3071121

IUPAC2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2nn(C)c(C)c12
InChIInChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)11(3)10-9/h4H,1-3H3
InChIKeyZHAWTLHEYWFLLL-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.14
Rot. Bonds

About 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one

2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one (PubChem CID 3071121) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
PubChem CID3071121
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2nn(C)c(C)c12
InChIInChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)11(3)10-9/h4H,1-3H3
InChIKeyZHAWTLHEYWFLLL-UHFFFAOYSA-N
XLogP1.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one (CID 3071121) is 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one is Cc1cc(=O)oc2nn(C)c(C)c12.
What is the InChIKey of 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one?
The InChIKey is ZHAWTLHEYWFLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)11(3)10-9/h4H,1-3H3.
What are the key properties of 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one?
2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one has a molecular weight of 178.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 3071121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).