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

C14H20N6O — CID 6889397

IUPACN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCn1nc(C)c(/C=N/NC(=O)Cn2nccc2C)c1C
InChIInChI=1S/C14H20N6O/c1-5-19-12(4)13(11(3)18-19)8-15-17-14(21)9-20-10(2)6-7-16-20/h6-8H,5,9H2,1-4H3,(H,17,21)/b15-8+
InChIKeyWKRKVTRZEWABEG-OVCLIPMQSA-N
MW288.35 g/mol
LogP1.18
Rot. Bonds5

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

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 6889397) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID6889397
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCn1nc(C)c(/C=N/NC(=O)Cn2nccc2C)c1C
InChIInChI=1S/C14H20N6O/c1-5-19-12(4)13(11(3)18-19)8-15-17-14(21)9-20-10(2)6-7-16-20/h6-8H,5,9H2,1-4H3,(H,17,21)/b15-8+
InChIKeyWKRKVTRZEWABEG-OVCLIPMQSA-N
XLogP1.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.18
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 N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 6889397) is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is CCn1nc(C)c(/C=N/NC(=O)Cn2nccc2C)c1C.
What is the InChIKey of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is WKRKVTRZEWABEG-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H20N6O/c1-5-19-12(4)13(11(3)18-19)8-15-17-14(21)9-20-10(2)6-7-16-20/h6-8H,5,9H2,1-4H3,(H,17,21)/b15-8+.
What are the key properties of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 6889397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).