N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide

C7H3F5N4O — CID 114037833

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESN#Cc1cn[nH]c1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5N4O/c8-6(9,7(10,11)12)5(17)15-4-3(1-13)2-14-16-4/h2H,(H2,14,15,16,17)
InChIKeyXCHHXYYQJHHHAT-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.42
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide

N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114037833) has the molecular formula C7H3F5N4O and a molecular weight of 254.12 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114037833
Molecular FormulaC7H3F5N4O
Molecular Weight254.12 g/mol
Exact Mass254.02
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESN#Cc1cn[nH]c1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5N4O/c8-6(9,7(10,11)12)5(17)15-4-3(1-13)2-14-16-4/h2H,(H2,14,15,16,17)
InChIKeyXCHHXYYQJHHHAT-UHFFFAOYSA-N
XLogP1.42
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide (CID 114037833) is N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide is N#Cc1cn[nH]c1NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is XCHHXYYQJHHHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N4O/c8-6(9,7(10,11)12)5(17)15-4-3(1-13)2-14-16-4/h2H,(H2,14,15,16,17).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide?
N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 254.12 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114037833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).