1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone

C19H20ClN5O3 — CID 97260762

IUPAC1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ncc(Cl)n1C
InChIInChI=1S/C19H20ClN5O3/c1-23(11-18-21-10-17(20)24(18)2)12-19(26)25-14(16-6-4-8-28-16)9-13(22-25)15-5-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeySAAOPFDMZBOMPV-CQSZACIVSA-N
MW401.85 g/mol
LogP3.07
Rot. Bonds6

About 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone

1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone (PubChem CID 97260762) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone
PubChem CID97260762
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ncc(Cl)n1C
InChIInChI=1S/C19H20ClN5O3/c1-23(11-18-21-10-17(20)24(18)2)12-19(26)25-14(16-6-4-8-28-16)9-13(22-25)15-5-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeySAAOPFDMZBOMPV-CQSZACIVSA-N
XLogP3.07
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
CID 97204268
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
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]ethanone
CID 39744906
methyl 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]benzoate
CID 86776534
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 8965838
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
2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 55543703
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 8780602
2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 55387403

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone?
The IUPAC name of 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) is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone is CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ncc(Cl)n1C.
What is the InChIKey of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone?
The InChIKey is SAAOPFDMZBOMPV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-23(11-18-21-10-17(20)24(18)2)12-19(26)25-14(16-6-4-8-28-16)9-13(22-25)15-5-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone?
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone has a molecular weight of 401.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 97260762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).