N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide

C24H30N4O — CID 119123380

IUPACN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H30N4O/c1-24(2,3)23(29)26-15-14-25-16-21-18-28(17-19-10-6-4-7-11-19)27-22(21)20-12-8-5-9-13-20/h4-13,18,25H,14-17H2,1-3H3,(H,26,29)
InChIKeyBHCVRRSSJMQQJM-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.85
Rot. Bonds8

About N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide

N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide (PubChem CID 119123380) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
PubChem CID119123380
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H30N4O/c1-24(2,3)23(29)26-15-14-25-16-21-18-28(17-19-10-6-4-7-11-19)27-22(21)20-12-8-5-9-13-20/h4-13,18,25H,14-17H2,1-3H3,(H,26,29)
InChIKeyBHCVRRSSJMQQJM-UHFFFAOYSA-N
XLogP3.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 24610533
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16588340
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 24610608

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide (CID 119123380) is N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNCc1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is BHCVRRSSJMQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-24(2,3)23(29)26-15-14-25-16-21-18-28(17-19-10-6-4-7-11-19)27-22(21)20-12-8-5-9-13-20/h4-13,18,25H,14-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119123380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).