2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide

C11H16F3N3O — CID 19534720

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-15-10(18)8(3)17-7(2)6-9(16-17)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,18)
InChIKeyHNZFSPXNRPPPBZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.30
Rot. Bonds4

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide (PubChem CID 19534720) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide
PubChem CID19534720
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-15-10(18)8(3)17-7(2)6-9(16-17)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,18)
InChIKeyHNZFSPXNRPPPBZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide (CID 19534720) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide?
The InChIKey is HNZFSPXNRPPPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-5-15-10(18)8(3)17-7(2)6-9(16-17)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide has a molecular weight of 263.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 19534720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).