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

C20H18ClF2N3O — CID 25106830

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClF2N3O/c1-12-16(13(2)26(25-12)19-6-4-3-5-18(19)23)10-20(27)24-11-14-7-8-15(22)9-17(14)21/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyFZPRECXBHJCLKP-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.28
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106830) has the molecular formula C20H18ClF2N3O and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106830
Molecular FormulaC20H18ClF2N3O
Molecular Weight389.83 g/mol
Exact Mass389.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClF2N3O/c1-12-16(13(2)26(25-12)19-6-4-3-5-18(19)23)10-20(27)24-11-14-7-8-15(22)9-17(14)21/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyFZPRECXBHJCLKP-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
5-(4-Chlorophenyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (12m)
CID 129010782
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
5-chloro-3-methyl-1-phenyl-N-(2-phenylpropyl)pyrazole-4-carboxamide
CID 16294262
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 1303969
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide
CID 2740687
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2-chlorobenzamide
CID 9845758
N-[2-(2-Chlorophenyl)ethyl]-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022722
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106830) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is FZPRECXBHJCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O/c1-12-16(13(2)26(25-12)19-6-4-3-5-18(19)23)10-20(27)24-11-14-7-8-15(22)9-17(14)21/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 389.83 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).