5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide

C14H17FN4O — CID 115988870

IUPAC5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H17FN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(16)4-5-12(11)15/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyGRTLMRRMTRUXKB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.63
Rot. Bonds4

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

5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide (PubChem CID 115988870) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
PubChem CID115988870
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H17FN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(16)4-5-12(11)15/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyGRTLMRRMTRUXKB-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.63
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-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 105387234
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide (CID 115988870) is 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide is CCc1nn(C)cc1CNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is GRTLMRRMTRUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(16)4-5-12(11)15/h4-6,8H,3,7,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide?
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 276.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 115988870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).