2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide

C13H17ClF3N3O — CID 4770957

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H17ClF3N3O/c1-7-10(14)11(13(15,16)17)19-20(7)8(2)12(21)18-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,18,21)
InChIKeyZMKAZBXYFQTKBL-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide (PubChem CID 4770957) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide
PubChem CID4770957
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H17ClF3N3O/c1-7-10(14)11(13(15,16)17)19-20(7)8(2)12(21)18-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,18,21)
InChIKeyZMKAZBXYFQTKBL-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide (CID 4770957) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide?
The InChIKey is ZMKAZBXYFQTKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-7-10(14)11(13(15,16)17)19-20(7)8(2)12(21)18-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide has a molecular weight of 323.75 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 4770957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).