1-methylpyrano[3,2-d]pyrazol-4-one

C7H6N2O2 — CID 135371860

IUPAC1-methylpyrano[3,2-d]pyrazol-4-one
SMILESCn1ncc2c(=O)ccoc21
InChIInChI=1S/C7H6N2O2/c1-9-7-5(4-8-9)6(10)2-3-11-7/h2-4H,1H3
InChIKeyKPDLBTSBMUEGPB-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.53
Rot. Bonds

About 1-methylpyrano[3,2-d]pyrazol-4-one

1-methylpyrano[3,2-d]pyrazol-4-one (PubChem CID 135371860) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-methylpyrano[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name1-methylpyrano[3,2-d]pyrazol-4-one
PubChem CID135371860
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1-methylpyrano[3,2-d]pyrazol-4-one
SMILESCn1ncc2c(=O)ccoc21
InChIInChI=1S/C7H6N2O2/c1-9-7-5(4-8-9)6(10)2-3-11-7/h2-4H,1H3
InChIKeyKPDLBTSBMUEGPB-UHFFFAOYSA-N
XLogP0.53
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrano[3,2-d]pyrazol-4-one?
The IUPAC name of 1-methylpyrano[3,2-d]pyrazol-4-one (CID 135371860) is 1-methylpyrano[3,2-d]pyrazol-4-one.
What is the SMILES notation for 1-methylpyrano[3,2-d]pyrazol-4-one?
The canonical SMILES for 1-methylpyrano[3,2-d]pyrazol-4-one is Cn1ncc2c(=O)ccoc21.
What is the InChIKey of 1-methylpyrano[3,2-d]pyrazol-4-one?
The InChIKey is KPDLBTSBMUEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-9-7-5(4-8-9)6(10)2-3-11-7/h2-4H,1H3.
What are the key properties of 1-methylpyrano[3,2-d]pyrazol-4-one?
1-methylpyrano[3,2-d]pyrazol-4-one has a molecular weight of 150.14 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrano[3,2-d]pyrazol-4-one is sourced from PubChem (CID 135371860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).