N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

C16H19FN4O2 — CID 110630786

IUPACN-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cc(C)n(-c2ccccc2F)n1
InChIInChI=1S/C16H19FN4O2/c1-11-10-14(16(23)19-9-5-8-18-12(2)22)20-21(11)15-7-4-3-6-13(15)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyANANUXLLBKKNBQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.58
Rot. Bonds6

About N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110630786) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110630786
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cc(C)n(-c2ccccc2F)n1
InChIInChI=1S/C16H19FN4O2/c1-11-10-14(16(23)19-9-5-8-18-12(2)22)20-21(11)15-7-4-3-6-13(15)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyANANUXLLBKKNBQ-UHFFFAOYSA-N
XLogP1.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
CID 110409079
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110412991
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110606147
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide
CID 60566526
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
1-(2-bromophenyl)-N-ethyl-5-methylpyrazole-3-carboxamide
CID 165489148
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (CID 110630786) is N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is CC(=O)NCCCNC(=O)c1cc(C)n(-c2ccccc2F)n1.
What is the InChIKey of N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is ANANUXLLBKKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-10-14(16(23)19-9-5-8-18-12(2)22)20-21(11)15-7-4-3-6-13(15)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).