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

C7H8F3N3O — CID 60977213

IUPAC3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCc1ccn[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-6(14)11-4-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyQKWSDRSQZVSTLL-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.98
Rot. Bonds3

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

3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 60977213) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID60977213
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCc1ccn[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)3-6(14)11-4-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyQKWSDRSQZVSTLL-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.98
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-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 60977213) is 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide is O=C(CC(F)(F)F)NCc1ccn[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is QKWSDRSQZVSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)3-6(14)11-4-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide?
3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 207.15 g/mol, XLogP of 0.98, 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-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60977213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).