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

C12H19F3N4O — CID 115290151

IUPAC2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19F3N4O/c1-3-4-5-19(8-12(13,14)15)11(20)10(16)9-6-17-18(2)7-9/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyWBLUCLLZNVLNJP-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.61
Rot. Bonds6

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

2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115290151) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115290151
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19F3N4O/c1-3-4-5-19(8-12(13,14)15)11(20)10(16)9-6-17-18(2)7-9/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyWBLUCLLZNVLNJP-UHFFFAOYSA-N
XLogP1.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 115290151) is 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WBLUCLLZNVLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-4-5-19(8-12(13,14)15)11(20)10(16)9-6-17-18(2)7-9/h6-7,10H,3-5,8,16H2,1-2H3.
What are the key properties of 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115290151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).