N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H4F6N4O — CID 103309877

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6N4O/c9-7(10,11)4(8(12,13)14)6(19)17-5-3(1-15)2-16-18-5/h2,4H,(H2,16,17,18,19)
InChIKeyPALIGVCOWXXMPD-UHFFFAOYSA-N
MW286.14 g/mol
LogP1.96
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309877) has the molecular formula C8H4F6N4O and a molecular weight of 286.14 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309877
Molecular FormulaC8H4F6N4O
Molecular Weight286.14 g/mol
Exact Mass286.03
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6N4O/c9-7(10,11)4(8(12,13)14)6(19)17-5-3(1-15)2-16-18-5/h2,4H,(H2,16,17,18,19)
InChIKeyPALIGVCOWXXMPD-UHFFFAOYSA-N
XLogP1.96
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
N-[4-cyano-3-(2-methylpropylamino)-1H-pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 20395985
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 121254681
2-Chloroacetamido-4-cyanopyrazole
CID 2451191
2-Cyano-N-1H-pyrazol-3-ylacetamide
CID 2807823
3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
CID 61393086
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
CID 73553302
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-carbamothioyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79503980
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504492
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79504505

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309877) is N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N#Cc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is PALIGVCOWXXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N4O/c9-7(10,11)4(8(12,13)14)6(19)17-5-3(1-15)2-16-18-5/h2,4H,(H2,16,17,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 286.14 g/mol, XLogP of 1.96, 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)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).