2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide

C13H15FN4O — CID 106047246

IUPAC2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
SMILESCc1c(CNC(=O)c2cccc(F)c2N)cnn1C
InChIInChI=1S/C13H15FN4O/c1-8-9(7-17-18(8)2)6-16-13(19)10-4-3-5-11(14)12(10)15/h3-5,7H,6,15H2,1-2H3,(H,16,19)
InChIKeyQXVAHJWAVIBQPL-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide

2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide (PubChem CID 106047246) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
PubChem CID106047246
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
SMILESCc1c(CNC(=O)c2cccc(F)c2N)cnn1C
InChIInChI=1S/C13H15FN4O/c1-8-9(7-17-18(8)2)6-16-13(19)10-4-3-5-11(14)12(10)15/h3-5,7H,6,15H2,1-2H3,(H,16,19)
InChIKeyQXVAHJWAVIBQPL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide (CID 106047246) is 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide is Cc1c(CNC(=O)c2cccc(F)c2N)cnn1C.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
The InChIKey is QXVAHJWAVIBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-9(7-17-18(8)2)6-16-13(19)10-4-3-5-11(14)12(10)15/h3-5,7H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide?
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 106047246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).