[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C20H18N2O5 — CID 75457336

IUPAC[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c(OC)c1
InChIInChI=1S/C20H18N2O5/c1-24-13-7-8-14(19(11-13)25-2)15-12-16(17-5-3-9-26-17)22(21-15)20(23)18-6-4-10-27-18/h3-11,16H,12H2,1-2H3
InChIKeyJKVAYQTXTLDGRM-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.88
Rot. Bonds5

About [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 75457336) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID75457336
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c(OC)c1
InChIInChI=1S/C20H18N2O5/c1-24-13-7-8-14(19(11-13)25-2)15-12-16(17-5-3-9-26-17)22(21-15)20(23)18-6-4-10-27-18/h3-11,16H,12H2,1-2H3
InChIKeyJKVAYQTXTLDGRM-UHFFFAOYSA-N
XLogP3.88
TPSA77.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 75457502
furan-2-yl-[3-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805973
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 7460424
N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93132713
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
furan-2-yl-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 100663472
(5-bromofuran-2-yl)-[(3S)-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 97309711
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781
N-[2-[(3R)-3-(3,5-dimethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663544
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41209428

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 75457336) is [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c(OC)c1.
What is the InChIKey of [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is JKVAYQTXTLDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-13-7-8-14(19(11-13)25-2)15-12-16(17-5-3-9-26-17)22(21-15)20(23)18-6-4-10-27-18/h3-11,16H,12H2,1-2H3.
What are the key properties of [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 366.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 75457336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).