N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C23H24ClN7O2 — CID 18728009

IUPACN-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCNCC1
InChIInChI=1S/C23H24ClN7O2/c1-30-21(19(14-27-30)23(33)28-18-8-6-17(24)7-9-18)29-22(32)16-4-2-15(3-5-16)20(25)31-12-10-26-11-13-31/h2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32)/b25-20-
InChIKeyWDCBXOGEIKWVET-QQTULTPQSA-N
MW465.95 g/mol
LogP2.81
Rot. Bonds5

About N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 18728009) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
PubChem CID18728009
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC NameN-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCNCC1
InChIInChI=1S/C23H24ClN7O2/c1-30-21(19(14-27-30)23(33)28-18-8-6-17(24)7-9-18)29-22(32)16-4-2-15(3-5-16)20(25)31-12-10-26-11-13-31/h2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32)/b25-20-
InChIKeyWDCBXOGEIKWVET-QQTULTPQSA-N
XLogP2.81
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide 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 N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 18728009) is N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCNCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The InChIKey is WDCBXOGEIKWVET-QQTULTPQSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-30-21(19(14-27-30)23(33)28-18-8-6-17(24)7-9-18)29-22(32)16-4-2-15(3-5-16)20(25)31-12-10-26-11-13-31/h2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32)/b25-20-.
What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 465.95 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 18728009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).