2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 115290152

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H17F3N4O/c1-3-4-18(7-11(12,13)14)10(19)9(15)8-5-16-17(2)6-8/h5-6,9H,3-4,7,15H2,1-2H3
InChIKeyKZFOTZAVULFHKC-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115290152) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115290152
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H17F3N4O/c1-3-4-18(7-11(12,13)14)10(19)9(15)8-5-16-17(2)6-8/h5-6,9H,3-4,7,15H2,1-2H3
InChIKeyKZFOTZAVULFHKC-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 115290152) is 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KZFOTZAVULFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-4-18(7-11(12,13)14)10(19)9(15)8-5-16-17(2)6-8/h5-6,9H,3-4,7,15H2,1-2H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115290152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).