7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

C19H20N2O4 — CID 46933630

IUPAC7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)n3nc(C)cc3C)ccc12
InChIInChI=1S/C19H20N2O4/c1-4-5-14-9-19(23)25-17-10-15(6-7-16(14)17)24-11-18(22)21-13(3)8-12(2)20-21/h6-10H,4-5,11H2,1-3H3
InChIKeyQPMJNKNZXUWEPA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.28
Rot. Bonds5

About 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (PubChem CID 46933630) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
PubChem CID46933630
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)n3nc(C)cc3C)ccc12
InChIInChI=1S/C19H20N2O4/c1-4-5-14-9-19(23)25-17-10-15(6-7-16(14)17)24-11-18(22)21-13(3)8-12(2)20-21/h6-10H,4-5,11H2,1-3H3
InChIKeyQPMJNKNZXUWEPA-UHFFFAOYSA-N
XLogP3.28
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
CID 730205
1-[(2,6-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
CID 969139
2-(2,4-Dimethyl-phenoxy)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 1090340
7-[2-(3,5-Dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 46933629
7-[2-(3,5-Dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-propylchromen-2-one
CID 46933631
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-(4-methylphenoxy)ethan-1-one
CID 755798
7-[(2R)-2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]-4-methylchromen-2-one
CID 7421245
7-[2-[4-[(2,4-Dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 44513345
7-[2-[3,5-Dimethyl-4-[(4-nitrophenyl)diazenyl]pyrazol-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 44513346
7-[2-[3,5-Dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 44513662
2-[[3,5-Dimethyl-1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-4-yl]diazenyl]benzoic acid
CID 44513663
7-[2-[4-[(4-Bromophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 44513982

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (CID 46933630) is 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCC(=O)n3nc(C)cc3C)ccc12.
What is the InChIKey of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The InChIKey is QPMJNKNZXUWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-5-14-9-19(23)25-17-10-15(6-7-16(14)17)24-11-18(22)21-13(3)8-12(2)20-21/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is sourced from PubChem (CID 46933630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).