N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

C13H14ClFN4O — CID 62129491

IUPACN-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(N)ccc2F)c(C)c1Cl
InChIInChI=1S/C13H14ClFN4O/c1-7-13(14)8(2)19(18-7)6-12(20)17-11-5-9(16)3-4-10(11)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyWPTHORKJNTVBMC-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.51
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 62129491) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID62129491
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(N)ccc2F)c(C)c1Cl
InChIInChI=1S/C13H14ClFN4O/c1-7-13(14)8(2)19(18-7)6-12(20)17-11-5-9(16)3-4-10(11)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyWPTHORKJNTVBMC-UHFFFAOYSA-N
XLogP2.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.51
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-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 19517466
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 60546437
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 55924095
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55811361
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(5-amino-2-fluorophenyl)-2-(2,6-dioxopiperidin-1-yl)acetamide
CID 43447518
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (CID 62129491) is N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2cc(N)ccc2F)c(C)c1Cl.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is WPTHORKJNTVBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-7-13(14)8(2)19(18-7)6-12(20)17-11-5-9(16)3-4-10(11)15/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 296.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 62129491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).