3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide

C6H6F3N3O — CID 61393086

IUPAC3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-5(13)11-4-1-2-10-12-4/h1-2H,3H2,(H2,10,11,12,13)
InChIKeyYVYXFNXFDWAVDP-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.30
Rot. Bonds2

About 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide

3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61393086) 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-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61393086
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-5(13)11-4-1-2-10-12-4/h1-2H,3H2,(H2,10,11,12,13)
InChIKeyYVYXFNXFDWAVDP-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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide (CID 61393086) is 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide is O=C(CC(F)(F)F)Nc1ccn[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is YVYXFNXFDWAVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-5(13)11-4-1-2-10-12-4/h1-2H,3H2,(H2,10,11,12,13).
What are the key properties of 3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide?
3,3,3-trifluoro-N-(1H-pyrazol-5-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-5-yl)propanamide is sourced from PubChem (CID 61393086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).