2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one

C21H16F2N2O4 — CID 71559443

IUPAC2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(F)c(F)c3)oc2c1-c1ccnn1C
InChIInChI=1S/C21H16F2N2O4/c1-25-14(6-7-24-25)19-17(27-2)10-18(28-3)20-15(26)9-16(29-21(19)20)11-4-5-12(22)13(23)8-11/h4-10H,1-3H3
InChIKeyQPYUGZAGDHNNGV-UHFFFAOYSA-N
MW398.37 g/mol
LogP4.16
Rot. Bonds4

About 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one

2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one (PubChem CID 71559443) has the molecular formula C21H16F2N2O4 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
PubChem CID71559443
Molecular FormulaC21H16F2N2O4
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(F)c(F)c3)oc2c1-c1ccnn1C
InChIInChI=1S/C21H16F2N2O4/c1-25-14(6-7-24-25)19-17(27-2)10-18(28-3)20-15(26)9-16(29-21(19)20)11-4-5-12(22)13(23)8-11/h4-10H,1-3H3
InChIKeyQPYUGZAGDHNNGV-UHFFFAOYSA-N
XLogP4.16
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
CID 71559551
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
methyl 2-fluoro-4-(2-methylpyrazol-3-yl)benzoate
CID 135274935
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 44559460
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one (CID 71559443) is 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(F)c(F)c3)oc2c1-c1ccnn1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The InChIKey is QPYUGZAGDHNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O4/c1-25-14(6-7-24-25)19-17(27-2)10-18(28-3)20-15(26)9-16(29-21(19)20)11-4-5-12(22)13(23)8-11/h4-10H,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one has a molecular weight of 398.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one is sourced from PubChem (CID 71559443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).