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

C13H15FN4O — CID 60872907

IUPACN-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)cc2N)c1
InChIInChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyCHIHJEONLFUVFU-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.94
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60872907) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60872907
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)cc2N)c1
InChIInChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyCHIHJEONLFUVFU-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-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47353212
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384650
N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 61383083

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 60872907) is N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(F)cc2N)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is CHIHJEONLFUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6-8H,4-5,15H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(2-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-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60872907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).