N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide

C19H18FN3O2 — CID 71844547

IUPACN-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccc(F)c3)C2)c1
InChIInChI=1S/C19H18FN3O2/c1-12(24)21-17-8-4-5-14(10-17)18-11-19(23(22-18)13(2)25)15-6-3-7-16(20)9-15/h3-10,19H,11H2,1-2H3,(H,21,24)
InChIKeyVASNJXZOMHEHHO-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.48
Rot. Bonds3

About N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide

N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 71844547) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
PubChem CID71844547
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccc(F)c3)C2)c1
InChIInChI=1S/C19H18FN3O2/c1-12(24)21-17-8-4-5-14(10-17)18-11-19(23(22-18)13(2)25)15-6-3-7-16(20)9-15/h3-10,19H,11H2,1-2H3,(H,21,24)
InChIKeyVASNJXZOMHEHHO-UHFFFAOYSA-N
XLogP3.48
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3,5-bis(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97310245
N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40840629
N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819667
N-[3-[(3R)-3-(3-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081182
N-[3-[(3S)-3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081179
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
1-[(3S)-3-(3-fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7088905
N-[3-[(3S)-2-acetyl-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543228
4-[(3R)-3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96543050
N-[3-[(3R)-2-acetyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543036
N-[2-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 75510791
methyl (E)-2-[2-[[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 25158117

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 71844547) is N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccc(F)c3)C2)c1.
What is the InChIKey of N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The InChIKey is VASNJXZOMHEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(24)21-17-8-4-5-14(10-17)18-11-19(23(22-18)13(2)25)15-6-3-7-16(20)9-15/h3-10,19H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 71844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).