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

C20H19N3O3 — CID 39744017

IUPAC1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-22(15-7-3-2-4-8-15)14-20(24)23-17(19-10-6-12-26-19)13-16(21-23)18-9-5-11-25-18/h2-12,17H,13-14H2,1H3/t17-/m1/s1
InChIKeyYHOFCBQCQFIRAZ-QGZVFWFLSA-N
MW349.39 g/mol
LogP3.69
Rot. Bonds5

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

1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone (PubChem CID 39744017) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
PubChem CID39744017
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-22(15-7-3-2-4-8-15)14-20(24)23-17(19-10-6-12-26-19)13-16(21-23)18-9-5-11-25-18/h2-12,17H,13-14H2,1H3/t17-/m1/s1
InChIKeyYHOFCBQCQFIRAZ-QGZVFWFLSA-N
XLogP3.69
TPSA62.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone with MolForge

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Related Compounds

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 47007073
methyl 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]benzoate
CID 86776534
methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
CID 97204268
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 55543703
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone
CID 97260762
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]ethanone
CID 39744906
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]ethanone
CID 112841446
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2,3-dihydroindol-1-yl)ethanone
CID 9299094
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone?
The IUPAC name of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone (CID 39744017) is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone is CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccccc1.
What is the InChIKey of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone?
The InChIKey is YHOFCBQCQFIRAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22(15-7-3-2-4-8-15)14-20(24)23-17(19-10-6-12-26-19)13-16(21-23)18-9-5-11-25-18/h2-12,17H,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone?
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone has a molecular weight of 349.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone is sourced from PubChem (CID 39744017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).