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

C21H18N2O3 — CID 4270221

IUPAC7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1
InChIInChI=1S/C21H18N2O3/c1-3-25-17-9-10-18-19(11-17)26-14(2)20(21(18)24)15-12-22-23(13-15)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChIKeyWPAUFXCKJOMTHK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.35
Rot. Bonds4

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

7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 4270221) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID4270221
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1
InChIInChI=1S/C21H18N2O3/c1-3-25-17-9-10-18-19(11-17)26-14(2)20(21(18)24)15-12-22-23(13-15)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChIKeyWPAUFXCKJOMTHK-UHFFFAOYSA-N
XLogP4.35
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 786636
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
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7-ethoxy-8-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
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[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate
CID 980254
6-ethyl-2-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 2389211
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
CID 2418812
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
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1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one
CID 25351989

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 4270221) is 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is CCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1.
What is the InChIKey of 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is WPAUFXCKJOMTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-3-25-17-9-10-18-19(11-17)26-14(2)20(21(18)24)15-12-22-23(13-15)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3.
What are the key properties of 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 346.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 4270221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).