N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide

C7H5F3N4O — CID 79504036

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N4O/c1-14-5(4(2-11)3-12-14)13-6(15)7(8,9)10/h3H,1H3,(H,13,15)
InChIKeyHADOVRNZNNHTKB-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.79
Rot. Bonds1

About N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 79504036) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID79504036
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N4O/c1-14-5(4(2-11)3-12-14)13-6(15)7(8,9)10/h3H,1H3,(H,13,15)
InChIKeyHADOVRNZNNHTKB-UHFFFAOYSA-N
XLogP0.79
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide (CID 79504036) is N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide is Cn1ncc(C#N)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is HADOVRNZNNHTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-14-5(4(2-11)3-12-14)13-6(15)7(8,9)10/h3H,1H3,(H,13,15).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 218.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 79504036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).