N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide

C13H15FN4O — CID 16790819

IUPACN-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
SMILESNc1cc(NC(=O)CCCn2cccn2)ccc1F
InChIInChI=1S/C13H15FN4O/c14-11-5-4-10(9-12(11)15)17-13(19)3-1-7-18-8-2-6-16-18/h2,4-6,8-9H,1,3,7,15H2,(H,17,19)
InChIKeyOAIKQTRJECIIIB-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.02
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide

N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide (PubChem CID 16790819) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
PubChem CID16790819
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
SMILESNc1cc(NC(=O)CCCn2cccn2)ccc1F
InChIInChI=1S/C13H15FN4O/c14-11-5-4-10(9-12(11)15)17-13(19)3-1-7-18-8-2-6-16-18/h2,4-6,8-9H,1,3,7,15H2,(H,17,19)
InChIKeyOAIKQTRJECIIIB-UHFFFAOYSA-N
XLogP2.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.02
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

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CID 63257477
N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 61402367
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62849241
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide (CID 16790819) is N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide is Nc1cc(NC(=O)CCCn2cccn2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide?
The InChIKey is OAIKQTRJECIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-5-4-10(9-12(11)15)17-13(19)3-1-7-18-8-2-6-16-18/h2,4-6,8-9H,1,3,7,15H2,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide?
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide has a molecular weight of 262.29 g/mol, XLogP of 2.02, 5 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)-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 16790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).