N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C8H10F3N3O — CID 116621327

IUPACN-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCNC(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-7(15)3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15)
InChIKeyWATIMQTWEKSWFT-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 116621327) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID116621327
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCNC(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-7(15)3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15)
InChIKeyWATIMQTWEKSWFT-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 116621327) is N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CNC(=O)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is WATIMQTWEKSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-7(15)3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15).
What are the key properties of N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 221.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 116621327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).