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

C15H15ClF3N3O — CID 25011821

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
SMILESCc1cnn(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-7-21-22(2)12(9)6-13(23)20-8-10-4-3-5-11(14(10)16)15(17,18)19/h3-5,7H,6,8H2,1-2H3,(H,20,23)
InChIKeyCDFTXARHJMTPCB-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.26
Rot. Bonds4

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide (PubChem CID 25011821) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
PubChem CID25011821
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
SMILESCc1cnn(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-7-21-22(2)12(9)6-13(23)20-8-10-4-3-5-11(14(10)16)15(17,18)19/h3-5,7H,6,8H2,1-2H3,(H,20,23)
InChIKeyCDFTXARHJMTPCB-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide (CID 25011821) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide is Cc1cnn(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The InChIKey is CDFTXARHJMTPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-9-7-21-22(2)12(9)6-13(23)20-8-10-4-3-5-11(14(10)16)15(17,18)19/h3-5,7H,6,8H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide has a molecular weight of 345.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide is sourced from PubChem (CID 25011821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).