[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate

C16H20N6O4 — CID 16760866

IUPAC[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate
SMILESCC(=O)O/N=C(C(=N/OC(C)=O)/n1nc(C)cc1C)\n1nc(C)cc1C
InChIInChI=1S/C16H20N6O4/c1-9-7-11(3)21(17-9)15(19-25-13(5)23)16(20-26-14(6)24)22-12(4)8-10(2)18-22/h7-8H,1-6H3/b19-15-,20-16-
InChIKeySYCDKWSJUMYCCJ-IKBKFCNISA-N
MW360.37 g/mol
LogP1.46
Rot. Bonds2

About [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate

[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate (PubChem CID 16760866) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate
PubChem CID16760866
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate
SMILESCC(=O)O/N=C(C(=N/OC(C)=O)/n1nc(C)cc1C)\n1nc(C)cc1C
InChIInChI=1S/C16H20N6O4/c1-9-7-11(3)21(17-9)15(19-25-13(5)23)16(20-26-14(6)24)22-12(4)8-10(2)18-22/h7-8H,1-6H3/b19-15-,20-16-
InChIKeySYCDKWSJUMYCCJ-IKBKFCNISA-N
XLogP1.46
TPSA112.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate?
The IUPAC name of [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate (CID 16760866) is [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate.
What is the SMILES notation for [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate?
The canonical SMILES for [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate is CC(=O)O/N=C(C(=N/OC(C)=O)/n1nc(C)cc1C)\n1nc(C)cc1C.
What is the InChIKey of [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate?
The InChIKey is SYCDKWSJUMYCCJ-IKBKFCNISA-N. The full InChI is InChI=1S/C16H20N6O4/c1-9-7-11(3)21(17-9)15(19-25-13(5)23)16(20-26-14(6)24)22-12(4)8-10(2)18-22/h7-8H,1-6H3/b19-15-,20-16-.
What are the key properties of [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate?
[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate has a molecular weight of 360.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate is sourced from PubChem (CID 16760866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).