2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione

C18H14N2O3 — CID 46329182

IUPAC2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione
SMILESCc1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)c(C)c1
InChIInChI=1S/C18H14N2O3/c1-10-3-6-15(11(2)7-10)20-18(22)14-8-12-4-5-13(21)9-16(12)23-17(14)19-20/h3-9,19H,1-2H3
InChIKeyAFWNLGXGHDOTCR-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.99
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione

2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione (PubChem CID 46329182) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione
PubChem CID46329182
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione
SMILESCc1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)c(C)c1
InChIInChI=1S/C18H14N2O3/c1-10-3-6-15(11(2)7-10)20-18(22)14-8-12-4-5-13(21)9-16(12)23-17(14)19-20/h3-9,19H,1-2H3
InChIKeyAFWNLGXGHDOTCR-UHFFFAOYSA-N
XLogP2.99
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione?
The IUPAC name of 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione (CID 46329182) is 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione is Cc1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione?
The InChIKey is AFWNLGXGHDOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-10-3-6-15(11(2)7-10)20-18(22)14-8-12-4-5-13(21)9-16(12)23-17(14)19-20/h3-9,19H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione?
2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione has a molecular weight of 306.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione is sourced from PubChem (CID 46329182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).