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

C8H7F3N4O2 — CID 103208286

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1cn[nH]c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H7F3N4O2/c9-8(10,11)4-17-3-6(16)14-7-5(1-12)2-13-15-7/h2H,3-4H2,(H2,13,14,15,16)
InChIKeyJNQQYNQSNUPICN-UHFFFAOYSA-N
MW248.16 g/mol
LogP0.80
Rot. Bonds4

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

N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208286) has the molecular formula C8H7F3N4O2 and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208286
Molecular FormulaC8H7F3N4O2
Molecular Weight248.16 g/mol
Exact Mass248.05
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1cn[nH]c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H7F3N4O2/c9-8(10,11)4-17-3-6(16)14-7-5(1-12)2-13-15-7/h2H,3-4H2,(H2,13,14,15,16)
InChIKeyJNQQYNQSNUPICN-UHFFFAOYSA-N
XLogP0.80
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
N-(4-Cyano-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 73553304
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504492
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86861831
N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205707
N-(4-cyano-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208287
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296
3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103209305
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209623
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309877
N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide
CID 103513780

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208286) is N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is N#Cc1cn[nH]c1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JNQQYNQSNUPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O2/c9-8(10,11)4-17-3-6(16)14-7-5(1-12)2-13-15-7/h2H,3-4H2,(H2,13,14,15,16).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 248.16 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).