N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H24N4OS — CID 56586324

IUPACN-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(26-15-8-14-25-20-11-5-2-6-12-20)21-18-28(17-19-9-3-1-4-10-19)27-23(21)22-13-7-16-30-22/h1-7,9-13,16,18,25H,8,14-15,17H2,(H,26,29)
InChIKeyLFDDSHQMUJSFSE-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.89
Rot. Bonds9

About N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 56586324) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID56586324
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(26-15-8-14-25-20-11-5-2-6-12-20)21-18-28(17-19-9-3-1-4-10-19)27-23(21)22-13-7-16-30-22/h1-7,9-13,16,18,25H,8,14-15,17H2,(H,26,29)
InChIKeyLFDDSHQMUJSFSE-UHFFFAOYSA-N
XLogP4.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977
1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46434281
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55509705
1-benzyl-N-[2-(cyclohexanecarbonylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55805749
1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17474823
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 30249508
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 56586324) is N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCCCNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is LFDDSHQMUJSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(26-15-8-14-25-20-11-5-2-6-12-20)21-18-28(17-19-9-3-1-4-10-19)27-23(21)22-13-7-16-30-22/h1-7,9-13,16,18,25H,8,14-15,17H2,(H,26,29).
What are the key properties of N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56586324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).