N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide

C22H24FN3O2 — CID 83283409

IUPACN-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C22H24FN3O2/c1-15(2)22(28)25(3)14-21(27)26-20(17-7-5-4-6-8-17)13-19(24-26)16-9-11-18(23)12-10-16/h4-12,15,20H,13-14H2,1-3H3
InChIKeyAJIYMXCANRUWGI-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.62
Rot. Bonds5

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

N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 83283409) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID83283409
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C22H24FN3O2/c1-15(2)22(28)25(3)14-21(27)26-20(17-7-5-4-6-8-17)13-19(24-26)16-9-11-18(23)12-10-16/h4-12,15,20H,13-14H2,1-3H3
InChIKeyAJIYMXCANRUWGI-UHFFFAOYSA-N
XLogP3.62
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide (CID 83283409) is N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is AJIYMXCANRUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15(2)22(28)25(3)14-21(27)26-20(17-7-5-4-6-8-17)13-19(24-26)16-9-11-18(23)12-10-16/h4-12,15,20H,13-14H2,1-3H3.
What are the key properties of N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 381.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 83283409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).