5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide

C20H19FN4O2 — CID 51999403

IUPAC5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-14(26)22-19-12-18(23-25(19)17-6-4-3-5-7-17)20(27)24(2)13-15-8-10-16(21)11-9-15/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyMXFJGKJVMPCAHO-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.24
Rot. Bonds5

About 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide

5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 51999403) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID51999403
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-14(26)22-19-12-18(23-25(19)17-6-4-3-5-7-17)20(27)24(2)13-15-8-10-16(21)11-9-15/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyMXFJGKJVMPCAHO-UHFFFAOYSA-N
XLogP3.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31883996
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 42740947
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998492
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide (CID 51999403) is 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is MXFJGKJVMPCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(26)22-19-12-18(23-25(19)17-6-4-3-5-7-17)20(27)24(2)13-15-8-10-16(21)11-9-15/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide?
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51999403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).