N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H8F6N4O — CID 103309072

IUPACN-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCn1ncc(N)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N4O/c1-18-5(3(15)2-16-18)17-6(19)4(7(9,10)11)8(12,13)14/h2,4H,15H2,1H3,(H,17,19)
InChIKeyULTZRDUUZWPQFR-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.68
Rot. Bonds2

About N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309072) has the molecular formula C8H8F6N4O and a molecular weight of 290.17 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309072
Molecular FormulaC8H8F6N4O
Molecular Weight290.17 g/mol
Exact Mass290.06
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCn1ncc(N)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N4O/c1-18-5(3(15)2-16-18)17-6(19)4(7(9,10)11)8(12,13)14/h2,4H,15H2,1H3,(H,17,19)
InChIKeyULTZRDUUZWPQFR-UHFFFAOYSA-N
XLogP1.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309072) is N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cn1ncc(N)c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is ULTZRDUUZWPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4O/c1-18-5(3(15)2-16-18)17-6(19)4(7(9,10)11)8(12,13)14/h2,4H,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 290.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).