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

C30H28MnN4O6 — CID 135548281

IUPACbis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese
SMILESCC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.CC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.[Mn]
InChIInChI=1S/2C15H14N2O3.Mn/c2*1-10(18)17-13(15-7-4-8-20-15)9-12(16-17)11-5-2-3-6-14(11)19;/h2*2-8,13,19H,9H2,1H3;
InChIKeyPEUXDYHGFWQYMV-UHFFFAOYSA-N
MW595.51 g/mol
LogP5.36
Rot. Bonds4

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

bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese (PubChem CID 135548281) has the molecular formula C30H28MnN4O6 and a molecular weight of 595.51 g/mol. Its IUPAC name is bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese.

Molecular Properties

Compound Namebis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese
PubChem CID135548281
Molecular FormulaC30H28MnN4O6
Molecular Weight595.51 g/mol
Exact Mass595.14
IUPAC Namebis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese
SMILESCC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.CC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.[Mn]
InChIInChI=1S/2C15H14N2O3.Mn/c2*1-10(18)17-13(15-7-4-8-20-15)9-12(16-17)11-5-2-3-6-14(11)19;/h2*2-8,13,19H,9H2,1H3;
InChIKeyPEUXDYHGFWQYMV-UHFFFAOYSA-N
XLogP5.36
TPSA132.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.51
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-[(3S)-3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
CID 135958768
N-[2-[(3R)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 40819623
1-[(3S)-3-(furan-2-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135816859
1-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 99802511
1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 41132099
1-[(3S)-5-(2-hydroxyphenyl)-3-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 137122914
furan-2-yl-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 135556947
[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 7460424
3-[(3S)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135887552
2-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 7960044
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
N-[3-[(3S)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methylbenzenesulfonamide
CID 124886362

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese?
The IUPAC name of bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese (CID 135548281) is bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese.
What is the SMILES notation for bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese?
The canonical SMILES for bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese is CC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.CC(=O)N1N=C(c2ccccc2O)CC1c1ccco1.[Mn].
What is the InChIKey of bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese?
The InChIKey is PEUXDYHGFWQYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2O3.Mn/c2*1-10(18)17-13(15-7-4-8-20-15)9-12(16-17)11-5-2-3-6-14(11)19;/h2*2-8,13,19H,9H2,1H3;.
What are the key properties of bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese?
bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese has a molecular weight of 595.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese is sourced from PubChem (CID 135548281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).