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

N'-[(3,5-Dimethyl-1H-pyrazol-1-yl)acetyl]-3-phenylbutanehydrazide
CID 25162423
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6258408
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723
N'-[(E)-1H-indol-3-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135650752
Ipazilide
CID 60650
2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6906283
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
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).