N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide

C23H25ClN4O2 — CID 8518126

IUPACN-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16(2)14-28-22(24)21(17(3)27-28)13-25-26-23(29)19-11-9-18(10-12-19)15-30-20-7-5-4-6-8-20/h4-13,16H,14-15H2,1-3H3,(H,26,29)/b25-13-
InChIKeyIRMBNVSPYDFJEO-MXAYSNPKSA-N
MW424.93 g/mol
LogP4.84
Rot. Bonds8

About N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide

N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 8518126) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID8518126
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16(2)14-28-22(24)21(17(3)27-28)13-25-26-23(29)19-11-9-18(10-12-19)15-30-20-7-5-4-6-8-20/h4-13,16H,14-15H2,1-3H3,(H,26,29)/b25-13-
InChIKeyIRMBNVSPYDFJEO-MXAYSNPKSA-N
XLogP4.84
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.84
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'}

Analyze N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9015701
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
N-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175162
N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 6892777
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-ethoxybenzamide
CID 9215095
2-(benzenesulfonamido)-N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9237733
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462905
4-amino-N-[(Z)-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]benzamide
CID 9071256
N-[(E)-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 42995979
N-[(E)-[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804651
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 6905700

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide (CID 8518126) is N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide is Cc1nn(CC(C)C)c(Cl)c1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is IRMBNVSPYDFJEO-MXAYSNPKSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16(2)14-28-22(24)21(17(3)27-28)13-25-26-23(29)19-11-9-18(10-12-19)15-30-20-7-5-4-6-8-20/h4-13,16H,14-15H2,1-3H3,(H,26,29)/b25-13-.
What are the key properties of N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide has a molecular weight of 424.93 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).