4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide

C19H18N4O — CID 8980773

IUPAC4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-2-15-8-10-17(11-9-15)19(24)22-20-12-16-13-21-23(14-16)18-6-4-3-5-7-18/h3-14H,2H2,1H3,(H,22,24)/b20-12-
InChIKeyWDWYXXNNJTYTQN-NDENLUEZSA-N
MW318.38 g/mol
LogP3.20
Rot. Bonds5

About 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide

4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 8980773) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID8980773
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-2-15-8-10-17(11-9-15)19(24)22-20-12-16-13-21-23(14-16)18-6-4-3-5-7-18/h3-14H,2H2,1H3,(H,22,24)/b20-12-
InChIKeyWDWYXXNNJTYTQN-NDENLUEZSA-N
XLogP3.20
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
1-(2-methoxyethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea
CID 8978981
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
4-bromo-N-[(1-ethylpyrazol-4-yl)methylideneamino]benzamide
CID 841368

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide (CID 8980773) is 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide is CCc1ccc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is WDWYXXNNJTYTQN-NDENLUEZSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-15-8-10-17(11-9-15)19(24)22-20-12-16-13-21-23(14-16)18-6-4-3-5-7-18/h3-14H,2H2,1H3,(H,22,24)/b20-12-.
What are the key properties of 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide?
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 8980773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).