2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one

C18H14N2O2 — CID 46329177

IUPAC2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc2oc3nn(Cc4ccccc4)c(=O)c-3cc2c1
InChIInChI=1S/C18H14N2O2/c1-12-7-8-16-14(9-12)10-15-17(22-16)19-20(18(15)21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQYZHYMDGAWPSJF-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.45
Rot. Bonds2

About 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one

2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one (PubChem CID 46329177) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one
PubChem CID46329177
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc2oc3nn(Cc4ccccc4)c(=O)c-3cc2c1
InChIInChI=1S/C18H14N2O2/c1-12-7-8-16-14(9-12)10-15-17(22-16)19-20(18(15)21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQYZHYMDGAWPSJF-UHFFFAOYSA-N
XLogP3.45
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one?
The IUPAC name of 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one (CID 46329177) is 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one.
What is the SMILES notation for 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one?
The canonical SMILES for 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one is Cc1ccc2oc3nn(Cc4ccccc4)c(=O)c-3cc2c1.
What is the InChIKey of 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one?
The InChIKey is QYZHYMDGAWPSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12-7-8-16-14(9-12)10-15-17(22-16)19-20(18(15)21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one?
2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one has a molecular weight of 290.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one is sourced from PubChem (CID 46329177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).