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

C20H19ClFN3O — CID 25106221

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyAXNDBMRMCLBYRQ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.14
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 25106221) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID25106221
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyAXNDBMRMCLBYRQ-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
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
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 6865415
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
5-chloro-3-methyl-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 678574
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
X1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 3-benzylamide 5-phenylamide
CID 9824035
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2-chlorobenzamide
CID 9845758

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 25106221) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is AXNDBMRMCLBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 371.84 g/mol, XLogP of 4.14, 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25106221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).