4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one

C13H10N2O2 — CID 654655

IUPAC4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C13H10N2O2/c1-8-7-10(16)17-13-11(8)12(14-15-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyKSUVRHQIDZXBBY-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.49
Rot. Bonds1

About 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one

4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 654655) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID654655
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCc1cc(=O)oc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C13H10N2O2/c1-8-7-10(16)17-13-11(8)12(14-15-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyKSUVRHQIDZXBBY-UHFFFAOYSA-N
XLogP2.49
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one (CID 654655) is 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one is Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is KSUVRHQIDZXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-7-10(16)17-13-11(8)12(14-15-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one?
4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 226.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 654655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).