N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

C17H21FN4O2 — CID 110356838

IUPACN-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)NCCCCNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12(23)19-9-3-4-10-20-17(24)15-11-16(22(2)21-15)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKRIYEMYGLHCPIY-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.87
Rot. Bonds7

About N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110356838) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110356838
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)NCCCCNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12(23)19-9-3-4-10-20-17(24)15-11-16(22(2)21-15)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKRIYEMYGLHCPIY-UHFFFAOYSA-N
XLogP1.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.87
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

N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
1-tert-butyl-5-(4-fluorophenyl)-N-(6-sulfanylhexyl)pyrazole-3-carboxamide
CID 141406985
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 77083429
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 110356838) is N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is CC(=O)NCCCCNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is KRIYEMYGLHCPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12(23)19-9-3-4-10-20-17(24)15-11-16(22(2)21-15)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110356838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).