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

C9H13F3N4O — CID 141194084

IUPAC2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-2-14-3-6-4-16(5-7(13)17)15-8(6)9(10,11)12/h4,14H,2-3,5H2,1H3,(H2,13,17)
InChIKeyZQNHNZWAKBGFSJ-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.50
Rot. Bonds5

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

2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194084) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194084
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-2-14-3-6-4-16(5-7(13)17)15-8(6)9(10,11)12/h4,14H,2-3,5H2,1H3,(H2,13,17)
InChIKeyZQNHNZWAKBGFSJ-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194084) is 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCNCc1cn(CC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZQNHNZWAKBGFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-2-14-3-6-4-16(5-7(13)17)15-8(6)9(10,11)12/h4,14H,2-3,5H2,1H3,(H2,13,17).
What are the key properties of 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).