1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

C17H18N2O3 — CID 2885313

IUPAC1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(C)o3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-9-17(22-11)15-10-16(19(18-15)12(2)20)13-5-7-14(21-3)8-6-13/h4-9,16H,10H2,1-3H3
InChIKeyNCQACZRYQIHARN-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.29
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2885313) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2885313
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(C)o3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-9-17(22-11)15-10-16(19(18-15)12(2)20)13-5-7-14(21-3)8-6-13/h4-9,16H,10H2,1-3H3
InChIKeyNCQACZRYQIHARN-UHFFFAOYSA-N
XLogP3.29
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 2885313) is 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2CC(c3ccc(C)o3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is NCQACZRYQIHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-4-9-17(22-11)15-10-16(19(18-15)12(2)20)13-5-7-14(21-3)8-6-13/h4-9,16H,10H2,1-3H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 298.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2885313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).