N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C23H26ClFN4O — CID 55786869

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C23H26ClFN4O/c1-15-20(16(2)29(27-15)18-11-9-17(25)10-12-18)13-23(30)26-14-22(28(3)4)19-7-5-6-8-21(19)24/h5-12,22H,13-14H2,1-4H3,(H,26,30)
InChIKeyAWHZSWKVTOIQBN-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.24
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 55786869) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID55786869
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C23H26ClFN4O/c1-15-20(16(2)29(27-15)18-11-9-17(25)10-12-18)13-23(30)26-14-22(28(3)4)19-7-5-6-8-21(19)24/h5-12,22H,13-14H2,1-4H3,(H,26,30)
InChIKeyAWHZSWKVTOIQBN-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 60509527
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 42939409
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 24638684
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 55786869) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is AWHZSWKVTOIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O/c1-15-20(16(2)29(27-15)18-11-9-17(25)10-12-18)13-23(30)26-14-22(28(3)4)19-7-5-6-8-21(19)24/h5-12,22H,13-14H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 428.94 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 55786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).