N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide

C15H17N5O — CID 52693788

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C15H17N5O/c1-10-9-13(20(2)19-10)15(21)16-8-7-14-17-11-5-3-4-6-12(11)18-14/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyYTUCTPFPTWULPA-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 52693788) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID52693788
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C15H17N5O/c1-10-9-13(20(2)19-10)15(21)16-8-7-14-17-11-5-3-4-6-12(11)18-14/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyYTUCTPFPTWULPA-UHFFFAOYSA-N
XLogP1.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 17401011
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 134042447
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 30251226
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 52693788) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n(C)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YTUCTPFPTWULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-9-13(20(2)19-10)15(21)16-8-7-14-17-11-5-3-4-6-12(11)18-14/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 52693788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).