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

C6H6F3N3O — CID 43430688

IUPAC3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-5(13)12-4-2-10-11-3-4/h2-3H,1H2,(H,10,11)(H,12,13)
InChIKeyMLUDDFQHCGTZHF-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.30
Rot. Bonds2

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

3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43430688) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43430688
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-5(13)12-4-2-10-11-3-4/h2-3H,1H2,(H,10,11)(H,12,13)
InChIKeyMLUDDFQHCGTZHF-UHFFFAOYSA-N
XLogP1.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
N-(5-chloro-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 89879106
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
CID 141335327
N-(difluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141360431
N-(trifluoromethyl)-1H-pyrazol-4-amine
CID 153675330
N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 175573093
(Acetylamino)iodopyrazole
CID 129814460

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide (CID 43430688) is 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide is O=C(CC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is MLUDDFQHCGTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)1-5(13)12-4-2-10-11-3-4/h2-3H,1H2,(H,10,11)(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide?
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 193.13 g/mol, XLogP of 1.30, 2 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-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).