1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone

C17H16N2O4 — CID 5001642

IUPAC1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)C2=NN(C(C)=O)CC2c2ccco2)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)19-10-14(15-4-3-9-23-15)16(18-19)17(21)12-5-7-13(22-2)8-6-12/h3-9,14H,10H2,1-2H3
InChIKeyKFWLQJQXXRMTHE-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.47
Rot. Bonds4

About 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 5001642) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID5001642
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)C2=NN(C(C)=O)CC2c2ccco2)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)19-10-14(15-4-3-9-23-15)16(18-19)17(21)12-5-7-13(22-2)8-6-12/h3-9,14H,10H2,1-2H3
InChIKeyKFWLQJQXXRMTHE-UHFFFAOYSA-N
XLogP2.47
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511
1-{4-(furan-2-yl)-3-[(3-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 3319593
1-(3-Furan-2-yl-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3504925
1-[3-(4-Methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 2885313
N-[2-(2-furyl)ethyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16190951
1-Acetyl-3-(2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 15716863
1-(3-(Furan-2-yl)-4,5-dihydro-5-(4-methoxyphenyl)pyrazol-1-yl)ethanone
CID 15716864
1-[3-(2,5-Dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 53322326
Pkudcnruooyxat-uhfffaoysa-
CID 3159764
6-(Furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 6500968
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-3-(4-methoxyphenyl)propanamide
CID 16905512
N-{3-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}-2-(4-methoxyphenyl)acetamide
CID 25881836

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 5001642) is 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C(=O)C2=NN(C(C)=O)CC2c2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is KFWLQJQXXRMTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)19-10-14(15-4-3-9-23-15)16(18-19)17(21)12-5-7-13(22-2)8-6-12/h3-9,14H,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 312.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-5-(4-methoxybenzoyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 5001642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).