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

C12H14F3N5O — CID 35525718

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n(C)n1
InChIInChI=1S/C12H14F3N5O/c1-7-4-10(19(3)17-7)16-11(21)6-20-8(2)5-9(18-20)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,21)
InChIKeyDGGXVICYANUBKF-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.89
Rot. Bonds3

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

N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35525718) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35525718
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n(C)n1
InChIInChI=1S/C12H14F3N5O/c1-7-4-10(19(3)17-7)16-11(21)6-20-8(2)5-9(18-20)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,21)
InChIKeyDGGXVICYANUBKF-UHFFFAOYSA-N
XLogP1.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35525718) is N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DGGXVICYANUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-7-4-10(19(3)17-7)16-11(21)6-20-8(2)5-9(18-20)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35525718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).