N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H15FN4O — CID 60873279

IUPACN-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c1
InChIInChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyKWWVQPNUPCJWND-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.94
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60873279) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60873279
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c1
InChIInChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyKWWVQPNUPCJWND-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.94
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-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044969
N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
CID 106548325
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N-(3-amino-4-fluorophenyl)-3-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 62952386

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 60873279) is N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is KWWVQPNUPCJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 262.29 g/mol, XLogP of 1.94, 4 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)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60873279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).