N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

C17H15N5OS — CID 119060362

IUPACN-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3nc[nH]c3c2)cc1-c1cccs1
InChIInChI=1S/C17H15N5OS/c1-22-15(16-3-2-6-24-16)8-14(21-22)17(23)18-9-11-4-5-12-13(7-11)20-10-19-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20)
InChIKeyYWCAUUJSGPLEPT-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.95
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 119060362) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID119060362
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3nc[nH]c3c2)cc1-c1cccs1
InChIInChI=1S/C17H15N5OS/c1-22-15(16-3-2-6-24-16)8-14(21-22)17(23)18-9-11-4-5-12-13(7-11)20-10-19-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20)
InChIKeyYWCAUUJSGPLEPT-UHFFFAOYSA-N
XLogP2.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110335992
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
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methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
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2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
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N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131889815
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 119060362) is N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccc3nc[nH]c3c2)cc1-c1cccs1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is YWCAUUJSGPLEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-22-15(16-3-2-6-24-16)8-14(21-22)17(23)18-9-11-4-5-12-13(7-11)20-10-19-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119060362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).