7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

C20H16N2O3 — CID 786636

IUPAC7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1
InChIInChI=1S/C20H16N2O3/c1-13-19(14-11-21-22(12-14)15-6-4-3-5-7-15)20(23)17-9-8-16(24-2)10-18(17)25-13/h3-12H,1-2H3
InChIKeyZSSGEUBQWDKNCU-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.96
Rot. Bonds3

About 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 786636) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID786636
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1
InChIInChI=1S/C20H16N2O3/c1-13-19(14-11-21-22(12-14)15-6-4-3-5-7-15)20(23)17-9-8-16(24-2)10-18(17)25-13/h3-12H,1-2H3
InChIKeyZSSGEUBQWDKNCU-UHFFFAOYSA-N
XLogP3.96
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 786636) is 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1.
What is the InChIKey of 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is ZSSGEUBQWDKNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-13-19(14-11-21-22(12-14)15-6-4-3-5-7-15)20(23)17-9-8-16(24-2)10-18(17)25-13/h3-12H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 786636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).