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

C9H9F6N3O — CID 103310270

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-3-5(4(2)18-17-3)16-7(19)6(8(10,11)12)9(13,14)15/h6H,1-2H3,(H,16,19)(H,17,18)
InChIKeyIZFNWFUVYPLYPR-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.71
Rot. Bonds2

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310270) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310270
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-3-5(4(2)18-17-3)16-7(19)6(8(10,11)12)9(13,14)15/h6H,1-2H3,(H,16,19)(H,17,18)
InChIKeyIZFNWFUVYPLYPR-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310270) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1n[nH]c(C)c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is IZFNWFUVYPLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-3-5(4(2)18-17-3)16-7(19)6(8(10,11)12)9(13,14)15/h6H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).