4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

C21H26N4O — CID 9371945

IUPAC4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)cc1
InChIInChI=1S/C21H26N4O/c1-14-10-12-22-25(14)17-7-5-15(6-8-17)19(26)24-23-18-13-16-9-11-21(18,4)20(16,2)3/h5-8,10,12,16H,9,11,13H2,1-4H3,(H,24,26)/b23-18-/t16-,21+/m1/s1
InChIKeyWJJCECQMFJUSFU-OKVKKWKKSA-N
MW350.47 g/mol
LogP4.11
Rot. Bonds3

About 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide (PubChem CID 9371945) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
PubChem CID9371945
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)cc1
InChIInChI=1S/C21H26N4O/c1-14-10-12-22-25(14)17-7-5-15(6-8-17)19(26)24-23-18-13-16-9-11-21(18,4)20(16,2)3/h5-8,10,12,16H,9,11,13H2,1-4H3,(H,24,26)/b23-18-/t16-,21+/m1/s1
InChIKeyWJJCECQMFJUSFU-OKVKKWKKSA-N
XLogP4.11
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.11
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'}

Analyze 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide (CID 9371945) is 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide is Cc1ccnn1-c1ccc(C(=O)N/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide?
The InChIKey is WJJCECQMFJUSFU-OKVKKWKKSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-10-12-22-25(14)17-7-5-15(6-8-17)19(26)24-23-18-13-16-9-11-21(18,4)20(16,2)3/h5-8,10,12,16H,9,11,13H2,1-4H3,(H,24,26)/b23-18-/t16-,21+/m1/s1.
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide?
4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide has a molecular weight of 350.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide is sourced from PubChem (CID 9371945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).