2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide

C8H10F3N3O — CID 62901625

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-5(7(12)15)14-4-3-6(13-14)8(9,10)11/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyJNRRRBSMAVXJSZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.34
Rot. Bonds3

About 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide

2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide (PubChem CID 62901625) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
PubChem CID62901625
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-5(7(12)15)14-4-3-6(13-14)8(9,10)11/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyJNRRRBSMAVXJSZ-UHFFFAOYSA-N
XLogP1.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide (CID 62901625) is 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide is CCC(C(N)=O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The InChIKey is JNRRRBSMAVXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-5(7(12)15)14-4-3-6(13-14)8(9,10)11/h3-5H,2H2,1H3,(H2,12,15).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide has a molecular weight of 221.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]butanamide is sourced from PubChem (CID 62901625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).