3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one

C15H14N2O2 — CID 1264987

IUPAC3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1cccc(-n2nc(C)c3c(C)cc(=O)oc32)c1
InChIInChI=1S/C15H14N2O2/c1-9-5-4-6-12(7-9)17-15-14(11(3)16-17)10(2)8-13(18)19-15/h4-8H,1-3H3
InChIKeyBGAJQMDOSDHIJA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.90
Rot. Bonds1

About 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one

3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one (PubChem CID 1264987) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one
PubChem CID1264987
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1cccc(-n2nc(C)c3c(C)cc(=O)oc32)c1
InChIInChI=1S/C15H14N2O2/c1-9-5-4-6-12(7-9)17-15-14(11(3)16-17)10(2)8-13(18)19-15/h4-8H,1-3H3
InChIKeyBGAJQMDOSDHIJA-UHFFFAOYSA-N
XLogP2.90
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one (CID 1264987) is 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one is Cc1cccc(-n2nc(C)c3c(C)cc(=O)oc32)c1.
What is the InChIKey of 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one?
The InChIKey is BGAJQMDOSDHIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-5-4-6-12(7-9)17-15-14(11(3)16-17)10(2)8-13(18)19-15/h4-8H,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one?
3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one has a molecular weight of 254.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methylphenyl)pyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 1264987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).