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

C15H19FN4O — CID 16786978

IUPACN-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2ccc(F)cc2N)n1
InChIInChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-4-15(21)18-14-6-5-12(16)9-13(14)17/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyFARDXKFTMAUZHE-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds5

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

N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 16786978) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID16786978
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2ccc(F)cc2N)n1
InChIInChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-4-15(21)18-14-6-5-12(16)9-13(14)17/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyFARDXKFTMAUZHE-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
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)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922142
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 63215697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide (CID 16786978) is N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(CCCC(=O)Nc2ccc(F)cc2N)n1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is FARDXKFTMAUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-4-15(21)18-14-6-5-12(16)9-13(14)17/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 290.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 16786978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).