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

C23H23N3O3 — CID 55543703

IUPAC2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN(Cc1ccccc1)C1CC1)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C23H23N3O3/c27-23(16-25(18-10-11-18)15-17-6-2-1-3-7-17)26-20(22-9-5-13-29-22)14-19(24-26)21-8-4-12-28-21/h1-9,12-13,18,20H,10-11,14-16H2
InChIKeyMYIKVCDOOGSBAD-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.21
Rot. Bonds7

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

2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 55543703) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID55543703
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN(Cc1ccccc1)C1CC1)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C23H23N3O3/c27-23(16-25(18-10-11-18)15-17-6-2-1-3-7-17)26-20(22-9-5-13-29-22)14-19(24-26)21-8-4-12-28-21/h1-9,12-13,18,20H,10-11,14-16H2
InChIKeyMYIKVCDOOGSBAD-UHFFFAOYSA-N
XLogP4.21
TPSA62.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 39744017
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 47007073
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
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-oxobutanoate
CID 78468948
methyl 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]benzoate
CID 86776534
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
2-[benzyl(propan-2-yl)amino]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 46677516
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2,3-dihydroindol-1-yl)ethanone
CID 9299094
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93131858
2-[cyclopropyl(3-methylbutyl)amino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 55568706

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 55543703) is 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is O=C(CN(Cc1ccccc1)C1CC1)N1N=C(c2ccco2)CC1c1ccco1.
What is the InChIKey of 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is MYIKVCDOOGSBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(16-25(18-10-11-18)15-17-6-2-1-3-7-17)26-20(22-9-5-13-29-22)14-19(24-26)21-8-4-12-28-21/h1-9,12-13,18,20H,10-11,14-16H2.
What are the key properties of 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 389.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 55543703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).