N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide

C8H10F3N3O — CID 43546967

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4-7(5(2)14-13-4)12-6(15)3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyALUYAWMBJXQXEG-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.92
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide (PubChem CID 43546967) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide
PubChem CID43546967
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4-7(5(2)14-13-4)12-6(15)3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyALUYAWMBJXQXEG-UHFFFAOYSA-N
XLogP1.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.92
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-trifluoropropanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide (CID 43546967) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide is Cc1n[nH]c(C)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide?
The InChIKey is ALUYAWMBJXQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-7(5(2)14-13-4)12-6(15)3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide has a molecular weight of 221.18 g/mol, XLogP of 1.92, 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-trifluoropropanamide is sourced from PubChem (CID 43546967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).