1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide

C16H22N4O — CID 119508720

IUPAC1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCCNCCNC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-3-17-9-10-18-16(21)15-11-19-20(13(15)2)12-14-7-5-4-6-8-14/h4-8,11,17H,3,9-10,12H2,1-2H3,(H,18,21)
InChIKeySHTKXBZSKIUCTM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.58
Rot. Bonds7

About 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide

1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 119508720) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID119508720
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCCNCCNC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-3-17-9-10-18-16(21)15-11-19-20(13(15)2)12-14-7-5-4-6-8-14/h4-8,11,17H,3,9-10,12H2,1-2H3,(H,18,21)
InChIKeySHTKXBZSKIUCTM-UHFFFAOYSA-N
XLogP1.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142
1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 86848638
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide (CID 119508720) is 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide is CCNCCNC(=O)c1cnn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is SHTKXBZSKIUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-9-10-18-16(21)15-11-19-20(13(15)2)12-14-7-5-4-6-8-14/h4-8,11,17H,3,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119508720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).