[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate

C24H24N4O7 — CID 3841169

IUPAC[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)c1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C24H24N4O7/c1-15(29)33-14-20(34-16(2)30)23(35-17(3)31)21-22(26-25-18-10-6-4-7-11-18)24(32)28(27-21)19-12-8-5-9-13-19/h4-13,20,23,27H,14H2,1-3H3/b26-25+
InChIKeyHPOPNXRGMAZENH-OCEACIFDSA-N
MW480.48 g/mol
LogP3.68
Rot. Bonds9

About [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate

[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate (PubChem CID 3841169) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 g/mol. Its IUPAC name is [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate
PubChem CID3841169
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Name[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)c1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C24H24N4O7/c1-15(29)33-14-20(34-16(2)30)23(35-17(3)31)21-22(26-25-18-10-6-4-7-11-18)24(32)28(27-21)19-12-8-5-9-13-19/h4-13,20,23,27H,14H2,1-3H3/b26-25+
InChIKeyHPOPNXRGMAZENH-OCEACIFDSA-N
XLogP3.68
TPSA141.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(3-oxo-4-phenyldiazenyl-5-propan-2-yl-1H-pyrazol-2-yl)benzenesulfonic acid
CID 155629686
2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one
CID 3362203
[2,3-diacetyloxy-3-(1-phenyltriazol-4-yl)propyl] acetate
CID 600107
ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 3109345
5-[(4-bromophenyl)-sulfanylmethyl]-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 135853892
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
(2,3-diacetyloxy-3-pyridin-2-ylpropyl) acetate
CID 134835456
5-amino-4-[(4-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 1494865
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
[(Z,2S,3R,4R)-2,3,4-triacetyloxy-6-phenyldiazenylhex-5-enyl] acetate
CID 98575148
4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
CID 3807082

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate?
The IUPAC name of [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate (CID 3841169) is [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate is CC(=O)OCC(OC(C)=O)C(OC(C)=O)c1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate?
The InChIKey is HPOPNXRGMAZENH-OCEACIFDSA-N. The full InChI is InChI=1S/C24H24N4O7/c1-15(29)33-14-20(34-16(2)30)23(35-17(3)31)21-22(26-25-18-10-6-4-7-11-18)24(32)28(27-21)19-12-8-5-9-13-19/h4-13,20,23,27H,14H2,1-3H3/b26-25+.
What are the key properties of [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate?
[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate has a molecular weight of 480.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate is sourced from PubChem (CID 3841169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).