3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C8H10F3N3O — CID 103856620

IUPAC3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F3N3O/c1-5(6-3-12-13-4-6)14-7(15)2-8(9,10)11/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyDPYYLSOMSDGGOV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.54
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856620) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856620
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F3N3O/c1-5(6-3-12-13-4-6)14-7(15)2-8(9,10)11/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyDPYYLSOMSDGGOV-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
N-ethyl-N'-[2-(1H-pyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)urea
CID 119073298
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 54896806
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959976
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856620) is 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)CC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is DPYYLSOMSDGGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(6-3-12-13-4-6)14-7(15)2-8(9,10)11/h3-5H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 221.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).