2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O — CID 54961949

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(CNCC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c1-16-5-7(3-15-16)2-13-4-8(17)14-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3,(H,14,17)
InChIKeyBJTNOFFXGOPMAN-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.19
Rot. Bonds5

About 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961949) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961949
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(CNCC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c1-16-5-7(3-15-16)2-13-4-8(17)14-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3,(H,14,17)
InChIKeyBJTNOFFXGOPMAN-UHFFFAOYSA-N
XLogP0.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54961949) is 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cn1cc(CNCC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BJTNOFFXGOPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-16-5-7(3-15-16)2-13-4-8(17)14-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3,(H,14,17).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).