N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide

C12H12ClFN4O — CID 54909721

IUPACN-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)n1cc(Cl)cn1
InChIInChI=1S/C12H12ClFN4O/c1-7(18-6-8(13)5-16-18)12(19)17-9-2-3-10(14)11(15)4-9/h2-7H,15H2,1H3,(H,17,19)
InChIKeyXULUWRNSZFJPOT-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.46
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide (PubChem CID 54909721) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
PubChem CID54909721
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)n1cc(Cl)cn1
InChIInChI=1S/C12H12ClFN4O/c1-7(18-6-8(13)5-16-18)12(19)17-9-2-3-10(14)11(15)4-9/h2-7H,15H2,1H3,(H,17,19)
InChIKeyXULUWRNSZFJPOT-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.46
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-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19538420
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 75517792
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide (CID 54909721) is N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide is CC(C(=O)Nc1ccc(F)c(N)c1)n1cc(Cl)cn1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is XULUWRNSZFJPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-7(18-6-8(13)5-16-18)12(19)17-9-2-3-10(14)11(15)4-9/h2-7H,15H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 282.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 54909721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).