N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide

C18H24N4O — CID 5101111

IUPACN-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O/c1-2-3-4-5-9-12-18(23)21-19-13-16-14-20-22(15-16)17-10-7-6-8-11-17/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H,21,23)
InChIKeyDNAXMXGFYRKGSS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.68
Rot. Bonds9

About N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide

N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide (PubChem CID 5101111) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
PubChem CID5101111
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H24N4O/c1-2-3-4-5-9-12-18(23)21-19-13-16-14-20-22(15-16)17-10-7-6-8-11-17/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H,21,23)
InChIKeyDNAXMXGFYRKGSS-UHFFFAOYSA-N
XLogP3.68
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
CID 124632202

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide (CID 5101111) is N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide is CCCCCCCC(=O)NN=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide?
The InChIKey is DNAXMXGFYRKGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-3-4-5-9-12-18(23)21-19-13-16-14-20-22(15-16)17-10-7-6-8-11-17/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H,21,23).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide?
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide has a molecular weight of 312.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide is sourced from PubChem (CID 5101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).