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

C22H23ClFN3O2 — CID 51067571

IUPACN-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)CC1c1ccc(F)cc1
InChIInChI=1S/C22H23ClFN3O2/c1-14(2)22(29)26(3)13-21(28)27-20(15-8-10-16(24)11-9-15)12-19(25-27)17-6-4-5-7-18(17)23/h4-11,14,20H,12-13H2,1-3H3
InChIKeyBSFLUPRMKSURBD-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.27
Rot. Bonds5

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

N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 51067571) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID51067571
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC NameN-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)CC1c1ccc(F)cc1
InChIInChI=1S/C22H23ClFN3O2/c1-14(2)22(29)26(3)13-21(28)27-20(15-8-10-16(24)11-9-15)12-19(25-27)17-6-4-5-7-18(17)23/h4-11,14,20H,12-13H2,1-3H3
InChIKeyBSFLUPRMKSURBD-UHFFFAOYSA-N
XLogP4.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide (CID 51067571) is N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)CC1c1ccc(F)cc1.
What is the InChIKey of N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is BSFLUPRMKSURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-14(2)22(29)26(3)13-21(28)27-20(15-8-10-16(24)11-9-15)12-19(25-27)17-6-4-5-7-18(17)23/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide?
N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 415.90 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 51067571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).