N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide

C22H24N4O2 — CID 5433770

IUPACN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)N/N=C\c3cnn(C)c3C)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-17-8-10-21(11-9-17)28-15-18-6-5-7-19(12-18)22(27)25-23-13-20-14-24-26(3)16(20)2/h5-14H,4,15H2,1-3H3,(H,25,27)/b23-13-
InChIKeyIGDHUSMFCQUQRW-QRVIBDJDSA-N
MW376.46 g/mol
LogP3.63
Rot. Bonds7

About N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide

N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide (PubChem CID 5433770) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide
PubChem CID5433770
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)N/N=C\c3cnn(C)c3C)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-17-8-10-21(11-9-17)28-15-18-6-5-7-19(12-18)22(27)25-23-13-20-14-24-26(3)16(20)2/h5-14H,4,15H2,1-3H3,(H,25,27)/b23-13-
InChIKeyIGDHUSMFCQUQRW-QRVIBDJDSA-N
XLogP3.63
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
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-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide?
The IUPAC name of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide (CID 5433770) is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide is CCc1ccc(OCc2cccc(C(=O)N/N=C\c3cnn(C)c3C)c2)cc1.
What is the InChIKey of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide?
The InChIKey is IGDHUSMFCQUQRW-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-17-8-10-21(11-9-17)28-15-18-6-5-7-19(12-18)22(27)25-23-13-20-14-24-26(3)16(20)2/h5-14H,4,15H2,1-3H3,(H,25,27)/b23-13-.
What are the key properties of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide?
N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-[(4-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 5433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).