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

C13H16N4O — CID 113369006

IUPAC4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N4O/c1-3-11-12(8-17(2)16-11)15-13(18)9-4-6-10(14)7-5-9/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyFQCBGGFCFJOLOD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.82
Rot. Bonds3

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

4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (PubChem CID 113369006) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
PubChem CID113369006
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N4O/c1-3-11-12(8-17(2)16-11)15-13(18)9-4-6-10(14)7-5-9/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyFQCBGGFCFJOLOD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 103910781
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
CID 103910780
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 113349973
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107464370
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide (CID 113369006) is 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is CCc1nn(C)cc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
The InChIKey is FQCBGGFCFJOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-11-12(8-17(2)16-11)15-13(18)9-4-6-10(14)7-5-9/h4-8H,3,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide?
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 113369006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).