4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide

C13H16N4O — CID 63358993

IUPAC4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N)c(-n2ccc(C)n2)c1
InChIInChI=1S/C13H16N4O/c1-3-15-13(18)10-4-5-11(14)12(8-10)17-7-6-9(2)16-17/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyYZQVXWRHIQRHEF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide

4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide (PubChem CID 63358993) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
PubChem CID63358993
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N)c(-n2ccc(C)n2)c1
InChIInChI=1S/C13H16N4O/c1-3-15-13(18)10-4-5-11(14)12(8-10)17-7-6-9(2)16-17/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyYZQVXWRHIQRHEF-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.51
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

4-amino-N-ethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 63358810
4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide
CID 55189309
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
3-amino-N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)benzamide
CID 82999488
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
3-amino-4-(3-cyano-1,2,4-triazol-1-yl)-N-ethylbenzamide
CID 82999641
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
methyl 1-[2-amino-4-(ethylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 82990708
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
CID 82999412
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide (CID 63358993) is 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide is CCNC(=O)c1ccc(N)c(-n2ccc(C)n2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide?
The InChIKey is YZQVXWRHIQRHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-15-13(18)10-4-5-11(14)12(8-10)17-7-6-9(2)16-17/h4-8H,3,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide?
4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 63358993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).