3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide

C15H20N4O — CID 82999488

IUPAC3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2nc(C)c(C)c2C)c(N)c1
InChIInChI=1S/C15H20N4O/c1-5-17-15(20)12-6-7-14(13(16)8-12)19-11(4)9(2)10(3)18-19/h6-8H,5,16H2,1-4H3,(H,17,20)
InChIKeyYIIHCSSBXWSUHL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide

3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide (PubChem CID 82999488) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
PubChem CID82999488
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2nc(C)c(C)c2C)c(N)c1
InChIInChI=1S/C15H20N4O/c1-5-17-15(20)12-6-7-14(13(16)8-12)19-11(4)9(2)10(3)18-19/h6-8H,5,16H2,1-4H3,(H,17,20)
InChIKeyYIIHCSSBXWSUHL-UHFFFAOYSA-N
XLogP2.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311140
methyl 1-[2-amino-4-(ethylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 82990708
3-amino-4-(3-cyano-1,2,4-triazol-1-yl)-N-ethylbenzamide
CID 82999641
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
CID 82999412
4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
CID 63358993
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide (CID 82999488) is 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide is CCNC(=O)c1ccc(-n2nc(C)c(C)c2C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
The InChIKey is YIIHCSSBXWSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-17-15(20)12-6-7-14(13(16)8-12)19-11(4)9(2)10(3)18-19/h6-8H,5,16H2,1-4H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide?
3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 82999488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).