N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H10F3N5O — CID 19530939

IUPACN-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H10F3N5O/c1-17-4-3-8(16-17)14-9(19)6-18-5-2-7(15-18)10(11,12)13/h2-5H,6H2,1H3,(H,14,16,19)
InChIKeyZMKIQPZIRALHJU-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.27
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530939) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530939
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H10F3N5O/c1-17-4-3-8(16-17)14-9(19)6-18-5-2-7(15-18)10(11,12)13/h2-5H,6H2,1H3,(H,14,16,19)
InChIKeyZMKIQPZIRALHJU-UHFFFAOYSA-N
XLogP1.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530939) is N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cn1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZMKIQPZIRALHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-17-4-3-8(16-17)14-9(19)6-18-5-2-7(15-18)10(11,12)13/h2-5H,6H2,1H3,(H,14,16,19).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 273.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).