N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H13F3N4O2 — CID 103205713

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nn(C)c(NC(=O)COCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-7(13)8(16(2)15-5)14-6(17)3-18-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17)
InChIKeyABTBFELBEKTVEC-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.83
Rot. Bonds4

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205713) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205713
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nn(C)c(NC(=O)COCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-7(13)8(16(2)15-5)14-6(17)3-18-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17)
InChIKeyABTBFELBEKTVEC-UHFFFAOYSA-N
XLogP0.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205713) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1nn(C)c(NC(=O)COCC(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ABTBFELBEKTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5-7(13)8(16(2)15-5)14-6(17)3-18-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 266.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).