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

C13H15FN4O — CID 126583805

IUPACN-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(F)cc2N)cn1
InChIInChI=1S/C13H15FN4O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5,15H2,1H3,(H,17,19)
InChIKeyJWVRFRADNLSJMF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.71
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 126583805) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID126583805
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(F)cc2N)cn1
InChIInChI=1S/C13H15FN4O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5,15H2,1H3,(H,17,19)
InChIKeyJWVRFRADNLSJMF-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384650
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 122132583
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 126583805) is N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2ccc(F)cc2N)cn1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is JWVRFRADNLSJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-18-8-9(7-16-18)2-5-13(19)17-12-4-3-10(14)6-11(12)15/h3-4,6-8H,2,5,15H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 262.29 g/mol, XLogP of 1.71, 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-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 126583805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).