N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

C6H2ClF6N3O — CID 59492290

IUPACN-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1Cl)C(F)(F)F
InChIInChI=1S/C6H2ClF6N3O/c7-1-2(5(8,9)10)15-16-3(1)14-4(17)6(11,12)13/h(H2,14,15,16,17)
InChIKeyYAQHYNAQWUVJFI-UHFFFAOYSA-N
MW281.54 g/mol
LogP2.58
Rot. Bonds1

About N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 59492290) has the molecular formula C6H2ClF6N3O and a molecular weight of 281.54 g/mol. Its IUPAC name is N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID59492290
Molecular FormulaC6H2ClF6N3O
Molecular Weight281.54 g/mol
Exact Mass280.98
IUPAC NameN-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1Cl)C(F)(F)F
InChIInChI=1S/C6H2ClF6N3O/c7-1-2(5(8,9)10)15-16-3(1)14-4(17)6(11,12)13/h(H2,14,15,16,17)
InChIKeyYAQHYNAQWUVJFI-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoro-acetamide
CID 21071162
N-[4-iodo-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717285
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
CID 130684951
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 127000205
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)propanamide
CID 133629867

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 59492290) is N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1n[nH]c(C(F)(F)F)c1Cl)C(F)(F)F.
What is the InChIKey of N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is YAQHYNAQWUVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF6N3O/c7-1-2(5(8,9)10)15-16-3(1)14-4(17)6(11,12)13/h(H2,14,15,16,17).
What are the key properties of N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 281.54 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59492290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).