3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide

C7H8F3N3O — CID 115630025

IUPAC3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-3-11-13-6(4)12-5(14)2-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyAAYNNTZNIDLTRW-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.61
Rot. Bonds2

About 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide

3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide (PubChem CID 115630025) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
PubChem CID115630025
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-3-11-13-6(4)12-5(14)2-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyAAYNNTZNIDLTRW-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.61
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-(4-methyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide (CID 115630025) is 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide is Cc1cn[nH]c1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is AAYNNTZNIDLTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-3-11-13-6(4)12-5(14)2-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 207.15 g/mol, XLogP of 1.61, 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-(4-methyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 115630025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).