2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H11FN4O — CID 54904588

IUPAC2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H11FN4O/c12-8-1-2-10(13)9(3-8)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,17)(H,15,16)
InChIKeyXFIYAFKNLZTOJT-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.06
Rot. Bonds3

About 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 54904588) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID54904588
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H11FN4O/c12-8-1-2-10(13)9(3-8)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,17)(H,15,16)
InChIKeyXFIYAFKNLZTOJT-UHFFFAOYSA-N
XLogP1.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61053649
4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 54904588) is 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is Nc1ccc(F)cc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is XFIYAFKNLZTOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-8-1-2-10(13)9(3-8)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 234.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 54904588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).