2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide

C16H16N6O — CID 135650782

IUPAC2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H16N6O/c1-12-7-8-19-22(12)11-15(23)20-17-9-14-10-18-21-16(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)(H,20,23)/b17-9+
InChIKeyYRSRPVSZHJBCTB-RQZCQDPDSA-N
MW308.35 g/mol
LogP1.73
Rot. Bonds5

About 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide

2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide (PubChem CID 135650782) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
PubChem CID135650782
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H16N6O/c1-12-7-8-19-22(12)11-15(23)20-17-9-14-10-18-21-16(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)(H,20,23)/b17-9+
InChIKeyYRSRPVSZHJBCTB-RQZCQDPDSA-N
XLogP1.73
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

CID 25162423
CID 25162423
CID 135632208
CID 135632208
CID 844489
CID 844489
CID 844520
CID 844520
CID 1001179
CID 1001179
CID 6258408
CID 6258408
CID 10273926
CID 10273926
CID 141484723
CID 141484723
CID 135650752
CID 135650752
CID 60650
CID 60650
CID 6906283
CID 6906283
CID 16012214
CID 16012214

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide (CID 135650782) is 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide is Cc1ccnn1CC(=O)N/N=C/c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is YRSRPVSZHJBCTB-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H16N6O/c1-12-7-8-19-22(12)11-15(23)20-17-9-14-10-18-21-16(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)(H,20,23)/b17-9+.
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 135650782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).