2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H11F3N4O — CID 141194092

IUPAC2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-13-2-5-3-15(4-6(12)16)14-7(5)8(9,10)11/h3,13H,2,4H2,1H3,(H2,12,16)
InChIKeyDYOICMBUYRUXGN-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.11
Rot. Bonds4

About 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194092) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194092
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-13-2-5-3-15(4-6(12)16)14-7(5)8(9,10)11/h3,13H,2,4H2,1H3,(H2,12,16)
InChIKeyDYOICMBUYRUXGN-UHFFFAOYSA-N
XLogP0.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194092) is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CNCc1cn(CC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DYOICMBUYRUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-13-2-5-3-15(4-6(12)16)14-7(5)8(9,10)11/h3,13H,2,4H2,1H3,(H2,12,16).
What are the key properties of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).