N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide

C31H42N4O — CID 124632202

IUPACN-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(C)c1
InChIInChI=1S/C31H42N4O/c1-3-4-5-6-7-8-9-10-11-12-16-22-30(36)33-32-24-28-25-35(29-20-14-13-15-21-29)34-31(28)27-19-17-18-26(2)23-27/h13-15,17-21,23-25H,3-12,16,22H2,1-2H3,(H,33,36)/b32-24-
InChIKeyKAHWQROIEOBLAQ-TZHWMEPESA-N
MW486.70 g/mol
LogP8.00
Rot. Bonds16

About N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide

N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide (PubChem CID 124632202) has the molecular formula C31H42N4O and a molecular weight of 486.70 g/mol. Its IUPAC name is N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide.

Molecular Properties

Compound NameN-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
PubChem CID124632202
Molecular FormulaC31H42N4O
Molecular Weight486.70 g/mol
Exact Mass486.34
IUPAC NameN-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(C)c1
InChIInChI=1S/C31H42N4O/c1-3-4-5-6-7-8-9-10-11-12-16-22-30(36)33-32-24-28-25-35(29-20-14-13-15-21-29)34-31(28)27-19-17-18-26(2)23-27/h13-15,17-21,23-25H,3-12,16,22H2,1-2H3,(H,33,36)/b32-24-
InChIKeyKAHWQROIEOBLAQ-TZHWMEPESA-N
XLogP8.00
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 58.00
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

N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6026582
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 51061602
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6175507
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
CID 3725202
5-bromo-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 6267958
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 6068870
3-methyl-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6249243
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide?
The IUPAC name of N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide (CID 124632202) is N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide.
What is the SMILES notation for N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide?
The canonical SMILES for N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide is CCCCCCCCCCCCCC(=O)N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(C)c1.
What is the InChIKey of N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide?
The InChIKey is KAHWQROIEOBLAQ-TZHWMEPESA-N. The full InChI is InChI=1S/C31H42N4O/c1-3-4-5-6-7-8-9-10-11-12-16-22-30(36)33-32-24-28-25-35(29-20-14-13-15-21-29)34-31(28)27-19-17-18-26(2)23-27/h13-15,17-21,23-25H,3-12,16,22H2,1-2H3,(H,33,36)/b32-24-.
What are the key properties of N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide?
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide has a molecular weight of 486.70 g/mol, XLogP of 8.00, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide is sourced from PubChem (CID 124632202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).