2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide

C15H22N6O — CID 937792

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1nc(C)c(C=NNC(=O)Cn2nc(C)cc2C)c1C
InChIInChI=1S/C15H22N6O/c1-6-20-13(5)14(12(4)19-20)8-16-17-15(22)9-21-11(3)7-10(2)18-21/h7-8H,6,9H2,1-5H3,(H,17,22)
InChIKeyADSWDTVZBYNMJU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 937792) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID937792
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1nc(C)c(C=NNC(=O)Cn2nc(C)cc2C)c1C
InChIInChI=1S/C15H22N6O/c1-6-20-13(5)14(12(4)19-20)8-16-17-15(22)9-21-11(3)7-10(2)18-21/h7-8H,6,9H2,1-5H3,(H,17,22)
InChIKeyADSWDTVZBYNMJU-UHFFFAOYSA-N
XLogP1.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide (CID 937792) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide is CCn1nc(C)c(C=NNC(=O)Cn2nc(C)cc2C)c1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is ADSWDTVZBYNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-6-20-13(5)14(12(4)19-20)8-16-17-15(22)9-21-11(3)7-10(2)18-21/h7-8H,6,9H2,1-5H3,(H,17,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 937792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).