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

C20H19N3O3 — CID 78792990

IUPAC1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
SMILESCc1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1
InChIInChI=1S/C20H19N3O3/c1-14-5-2-6-15(11-14)21-13-20(24)23-17(19-8-4-10-26-19)12-16(22-23)18-7-3-9-25-18/h2-11,17,21H,12-13H2,1H3
InChIKeyMOWVRSTZJOJHKU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.97
Rot. Bonds5

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

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone (PubChem CID 78792990) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone.

Molecular Properties

Compound Name1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
PubChem CID78792990
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
SMILESCc1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1
InChIInChI=1S/C20H19N3O3/c1-14-5-2-6-15(11-14)21-13-20(24)23-17(19-8-4-10-26-19)12-16(22-23)18-7-3-9-25-18/h2-11,17,21H,12-13H2,1H3
InChIKeyMOWVRSTZJOJHKU-UHFFFAOYSA-N
XLogP3.97
TPSA70.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
CID 35811357
3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
CID 60537168
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methyl-3-nitroanilino)ethanone
CID 51183167
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650
N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
CID 55919017
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-ethynylanilino)ethanone
CID 25392249
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide
CID 41236436
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
CID 60536920

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone?
The IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone (CID 78792990) is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone.
What is the SMILES notation for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone?
The canonical SMILES for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone is Cc1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1.
What is the InChIKey of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone?
The InChIKey is MOWVRSTZJOJHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-5-2-6-15(11-14)21-13-20(24)23-17(19-8-4-10-26-19)12-16(22-23)18-7-3-9-25-18/h2-11,17,21H,12-13H2,1H3.
What are the key properties of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone?
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone has a molecular weight of 349.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone is sourced from PubChem (CID 78792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).