4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C12H13FN4O — CID 55205164

IUPAC4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H13FN4O/c1-17-9(4-5-16-17)7-15-12(18)10-3-2-8(14)6-11(10)13/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyZJJDWUXOVXZCJV-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.07
Rot. Bonds3

About 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 55205164) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID55205164
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H13FN4O/c1-17-9(4-5-16-17)7-15-12(18)10-3-2-8(14)6-11(10)13/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyZJJDWUXOVXZCJV-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 65353862
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 62046517
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 55205164) is 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is ZJJDWUXOVXZCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-9(4-5-16-17)7-15-12(18)10-3-2-8(14)6-11(10)13/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 55205164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).