ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide

C11H18F3N3O — CID 166474068

IUPACethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCC.Cc1cn(CCCC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O.C2H6/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12;1-2/h5H,2-4H2,1H3,(H2,13,16);1-2H3
InChIKeyGLOUVIGJUWZBSI-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.50
Rot. Bonds4

About ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide

ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide (PubChem CID 166474068) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide.

Molecular Properties

Compound Nameethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
PubChem CID166474068
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Nameethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCC.Cc1cn(CCCC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O.C2H6/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12;1-2/h5H,2-4H2,1H3,(H2,13,16);1-2H3
InChIKeyGLOUVIGJUWZBSI-UHFFFAOYSA-N
XLogP2.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The IUPAC name of ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide (CID 166474068) is ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide.
What is the SMILES notation for ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The canonical SMILES for ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide is CC.Cc1cn(CCCC(N)=O)nc1C(F)(F)F.
What is the InChIKey of ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The InChIKey is GLOUVIGJUWZBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O.C2H6/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12;1-2/h5H,2-4H2,1H3,(H2,13,16);1-2H3.
What are the key properties of ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide has a molecular weight of 265.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide is sourced from PubChem (CID 166474068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).