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

C6H4F2N4O — CID 103513780

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide
SMILESN#Cc1cn[nH]c1NC(=O)C(F)F
InChIInChI=1S/C6H4F2N4O/c7-4(8)6(13)11-5-3(1-9)2-10-12-5/h2,4H,(H2,10,11,12,13)
InChIKeyZYFZVTBENMUTBN-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.48
Rot. Bonds2

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

N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide (PubChem CID 103513780) has the molecular formula C6H4F2N4O and a molecular weight of 186.12 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide
PubChem CID103513780
Molecular FormulaC6H4F2N4O
Molecular Weight186.12 g/mol
Exact Mass186.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide
SMILESN#Cc1cn[nH]c1NC(=O)C(F)F
InChIInChI=1S/C6H4F2N4O/c7-4(8)6(13)11-5-3(1-9)2-10-12-5/h2,4H,(H2,10,11,12,13)
InChIKeyZYFZVTBENMUTBN-UHFFFAOYSA-N
XLogP0.48
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide (CID 103513780) is N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide is N#Cc1cn[nH]c1NC(=O)C(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide?
The InChIKey is ZYFZVTBENMUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4O/c7-4(8)6(13)11-5-3(1-9)2-10-12-5/h2,4H,(H2,10,11,12,13).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide?
N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide has a molecular weight of 186.12 g/mol, XLogP of 0.48, 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-difluoroacetamide is sourced from PubChem (CID 103513780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).