2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide

C13H15FN4O — CID 107463012

IUPAC2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C13H15FN4O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyNKYUKPGBJOHAOX-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide (PubChem CID 107463012) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
PubChem CID107463012
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C13H15FN4O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyNKYUKPGBJOHAOX-UHFFFAOYSA-N
XLogP1.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.96
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

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide (CID 107463012) is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide is CCc1nn(C)cc1NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide?
The InChIKey is NKYUKPGBJOHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide?
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 107463012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).