N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide

C23H26ClFN4O — CID 25107290

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccccc2N(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C23H26ClFN4O/c1-15-20(12-23(30)26-13-17-9-10-19(25)11-21(17)24)16(2)29(27-15)14-18-7-5-6-8-22(18)28(3)4/h5-11H,12-14H2,1-4H3,(H,26,30)
InChIKeyQTZNGCQHSBZVCY-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.27
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25107290) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25107290
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccccc2N(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C23H26ClFN4O/c1-15-20(12-23(30)26-13-17-9-10-19(25)11-21(17)24)16(2)29(27-15)14-18-7-5-6-8-22(18)28(3)4/h5-11H,12-14H2,1-4H3,(H,26,30)
InChIKeyQTZNGCQHSBZVCY-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(2-hydroxyethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157024
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(2,6-dimethylphenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25107294
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106746
2-[4-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]ethyl trifluoromethanesulfonate
CID 86651288
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(cyclohexylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157064
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]acetamide
CID 25106921
4-[4-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]-3,5-dimethylpyrazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 58157022
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-iodobenzamide
CID 19346969
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19393963
1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17183630
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CID 25107290) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(Cc2ccccc2N(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is QTZNGCQHSBZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O/c1-15-20(12-23(30)26-13-17-9-10-19(25)11-21(17)24)16(2)29(27-15)14-18-7-5-6-8-22(18)28(3)4/h5-11H,12-14H2,1-4H3,(H,26,30).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 428.94 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[[2-(dimethylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25107290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).