N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H15ClF3N3O — CID 23654831

IUPACN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRWGQVMDAUZROID-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.56
Rot. Bonds4

About N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 23654831) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID23654831
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC NameN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRWGQVMDAUZROID-UHFFFAOYSA-N
XLogP3.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 23654831) is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is RWGQVMDAUZROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 345.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 23654831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).