5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide

C13H15FN4O — CID 103295770

IUPAC5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(NC(=O)c2cc(N)cc(C)c2F)n(C)n1
InChIInChI=1S/C13H15FN4O/c1-7-4-9(15)6-10(12(7)14)13(19)16-11-5-8(2)17-18(11)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyKRYJFHIOHVQNMK-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.01
Rot. Bonds2

About 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide

5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 103295770) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID103295770
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(NC(=O)c2cc(N)cc(C)c2F)n(C)n1
InChIInChI=1S/C13H15FN4O/c1-7-4-9(15)6-10(12(7)14)13(19)16-11-5-8(2)17-18(11)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyKRYJFHIOHVQNMK-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.01
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-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 61090056
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide (CID 103295770) is 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide is Cc1cc(NC(=O)c2cc(N)cc(C)c2F)n(C)n1.
What is the InChIKey of 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is KRYJFHIOHVQNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-4-9(15)6-10(12(7)14)13(19)16-11-5-8(2)17-18(11)3/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 262.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).