N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H21N5OS — CID 30249508

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H21N5OS/c30-24(25-13-12-22-26-19-9-4-5-10-20(19)27-22)18-16-29(15-17-7-2-1-3-8-17)28-23(18)21-11-6-14-31-21/h1-11,14,16H,12-13,15H2,(H,25,30)(H,26,27)
InChIKeyOXYSRNIDTFTJBX-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.51
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 30249508) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID30249508
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H21N5OS/c30-24(25-13-12-22-26-19-9-4-5-10-20(19)27-22)18-16-29(15-17-7-2-1-3-8-17)28-23(18)21-11-6-14-31-21/h1-11,14,16H,12-13,15H2,(H,25,30)(H,26,27)
InChIKeyOXYSRNIDTFTJBX-UHFFFAOYSA-N
XLogP4.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
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1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 30249508) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is OXYSRNIDTFTJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c30-24(25-13-12-22-26-19-9-4-5-10-20(19)27-22)18-16-29(15-17-7-2-1-3-8-17)28-23(18)21-11-6-14-31-21/h1-11,14,16H,12-13,15H2,(H,25,30)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30249508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).