4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide

C24H27FN6O2 — CID 46294070

IUPAC4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
SMILESCCCn1cc(C/N=C(\NC(=O)c2ccc(NC(C)=O)cc2)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C24H27FN6O2/c1-4-13-31-15-19(16(2)30-31)14-26-24(28-22-11-7-20(25)8-12-22)29-23(33)18-5-9-21(10-6-18)27-17(3)32/h5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H2,26,28,29,33)
InChIKeyKGFRYKCFEKNRQH-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.10
Rot. Bonds7

About 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide

4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide (PubChem CID 46294070) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
PubChem CID46294070
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
SMILESCCCn1cc(C/N=C(\NC(=O)c2ccc(NC(C)=O)cc2)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C24H27FN6O2/c1-4-13-31-15-19(16(2)30-31)14-26-24(28-22-11-7-20(25)8-12-22)29-23(33)18-5-9-21(10-6-18)27-17(3)32/h5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H2,26,28,29,33)
InChIKeyKGFRYKCFEKNRQH-UHFFFAOYSA-N
XLogP4.10
TPSA100.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]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

4-acetamido-N-[N-(4-methylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293911
4-tert-butyl-N-[N-(4-methylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293904
N-[N-(4-bromophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide
CID 46293829
N-[N-(3,5-dimethylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-4-methoxybenzamide
CID 46294039
N-[N-(4-methylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-1,3-benzodioxole-5-carboxamide
CID 46293909
N-[N-(3-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide
CID 46293841
N-[N-(3,5-dimethylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-1,3-benzodioxole-5-carboxamide
CID 46294030
4-tert-butyl-N-[N-(2-ethoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293793
N-[N-(2-ethoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]-3-fluoro-4-methylbenzamide
CID 46293803
3,4-dimethoxy-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293976
4-acetamido-N-[N-(3-fluorophenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293529
2-chloro-N-[N-(3-chloro-2-methylphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293871

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The IUPAC name of 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide (CID 46294070) is 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The canonical SMILES for 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide is CCCn1cc(C/N=C(\NC(=O)c2ccc(NC(C)=O)cc2)Nc2ccc(F)cc2)c(C)n1.
What is the InChIKey of 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The InChIKey is KGFRYKCFEKNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-4-13-31-15-19(16(2)30-31)14-26-24(28-22-11-7-20(25)8-12-22)29-23(33)18-5-9-21(10-6-18)27-17(3)32/h5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H2,26,28,29,33).
What are the key properties of 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[N-(4-fluorophenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide is sourced from PubChem (CID 46294070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).