N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide

C15H19N3O — CID 45285247

IUPACN-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(C)nc1C
InChIInChI=1S/C15H19N3O/c1-4-18(10-13-8-6-5-7-9-13)15(19)14-11-17(3)16-12(14)2/h5-9,11H,4,10H2,1-3H3
InChIKeyIJYYPMRAFLMUSA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds4

About N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide

N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285247) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285247
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(C)nc1C
InChIInChI=1S/C15H19N3O/c1-4-18(10-13-8-6-5-7-9-13)15(19)14-11-17(3)16-12(14)2/h5-9,11H,4,10H2,1-3H3
InChIKeyIJYYPMRAFLMUSA-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110696304
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
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CID 110851810
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide (CID 45285247) is N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cn(C)nc1C.
What is the InChIKey of N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is IJYYPMRAFLMUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-18(10-13-8-6-5-7-9-13)15(19)14-11-17(3)16-12(14)2/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).