N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C9H12F3N3O — CID 116621379

IUPACN,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)N(C)C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(8(16)14(2)3)15-5-4-7(13-15)9(10,11)12/h4-6H,1-3H3
InChIKeyJDEFYBZUVQJKKK-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.55
Rot. Bonds2

About N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 116621379) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID116621379
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)N(C)C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(8(16)14(2)3)15-5-4-7(13-15)9(10,11)12/h4-6H,1-3H3
InChIKeyJDEFYBZUVQJKKK-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 116621379) is N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)N(C)C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is JDEFYBZUVQJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(8(16)14(2)3)15-5-4-7(13-15)9(10,11)12/h4-6H,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 235.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 116621379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).