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

C16H15FN6O — CID 936705

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN6O/c1-11-6-7-20-23(11)10-15(24)21-18-8-13-9-19-22-16(13)12-2-4-14(17)5-3-12/h2-9H,10H2,1H3,(H,19,22)(H,21,24)
InChIKeyLXAZUAXEKTZSLX-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.87
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 936705) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID936705
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN6O/c1-11-6-7-20-23(11)10-15(24)21-18-8-13-9-19-22-16(13)12-2-4-14(17)5-3-12/h2-9H,10H2,1H3,(H,19,22)(H,21,24)
InChIKeyLXAZUAXEKTZSLX-UHFFFAOYSA-N
XLogP1.87
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 936705) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is LXAZUAXEKTZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-11-6-7-20-23(11)10-15(24)21-18-8-13-9-19-22-16(13)12-2-4-14(17)5-3-12/h2-9H,10H2,1H3,(H,19,22)(H,21,24).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 326.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 936705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).