2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one

C16H18N2O3 — CID 114674062

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCCc1nn(C)cc1C1CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H18N2O3/c1-4-13-12(9-18(2)17-13)16-8-14(19)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,16H,4,8H2,1-3H3
InChIKeyARUBZTILTDXTKY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one

2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114674062) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID114674062
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCCc1nn(C)cc1C1CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H18N2O3/c1-4-13-12(9-18(2)17-13)16-8-14(19)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,16H,4,8H2,1-3H3
InChIKeyARUBZTILTDXTKY-UHFFFAOYSA-N
XLogP2.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715340
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709910
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672575

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one (CID 114674062) is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one is CCc1nn(C)cc1C1CC(=O)c2cc(OC)ccc2O1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is ARUBZTILTDXTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-13-12(9-18(2)17-13)16-8-14(19)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).