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

C9H10F6N4O — CID 103309074

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1nn(C)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C9H10F6N4O/c1-3-4(16)6(19(2)18-3)17-7(20)5(8(10,11)12)9(13,14)15/h5H,16H2,1-2H3,(H,17,20)
InChIKeyGZKSTJKWMZKGCW-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.99
Rot. Bonds2

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

N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309074) has the molecular formula C9H10F6N4O and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309074
Molecular FormulaC9H10F6N4O
Molecular Weight304.19 g/mol
Exact Mass304.08
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1nn(C)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C9H10F6N4O/c1-3-4(16)6(19(2)18-3)17-7(20)5(8(10,11)12)9(13,14)15/h5H,16H2,1-2H3,(H,17,20)
InChIKeyGZKSTJKWMZKGCW-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309074) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1nn(C)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is GZKSTJKWMZKGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N4O/c1-3-4(16)6(19(2)18-3)17-7(20)5(8(10,11)12)9(13,14)15/h5H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 304.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).