5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide

C19H17FN4O2 — CID 51999472

IUPAC5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN4O2/c1-13(25)22-18-11-17(23-24(18)16-8-3-2-4-9-16)19(26)21-12-14-6-5-7-15(20)10-14/h2-11H,12H2,1H3,(H,21,26)(H,22,25)
InChIKeyBWEAGAUVRITESP-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.90
Rot. Bonds5

About 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide

5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51999472) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID51999472
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN4O2/c1-13(25)22-18-11-17(23-24(18)16-8-3-2-4-9-16)19(26)21-12-14-6-5-7-15(20)10-14/h2-11H,12H2,1H3,(H,21,26)(H,22,25)
InChIKeyBWEAGAUVRITESP-UHFFFAOYSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998492
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
4-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004408

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide (CID 51999472) is 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is BWEAGAUVRITESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13(25)22-18-11-17(23-24(18)16-8-3-2-4-9-16)19(26)21-12-14-6-5-7-15(20)10-14/h2-11H,12H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51999472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).