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

C10H14F3N3O — CID 72911349

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-6-7(2)15-16-8(6)3-4-9(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLQLWVNROWMGSHK-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.64
Rot. Bonds4

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

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 72911349) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID72911349
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-6-7(2)15-16-8(6)3-4-9(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLQLWVNROWMGSHK-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 72911349) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1[nH]nc(CCC(=O)NCC(F)(F)F)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LQLWVNROWMGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-7(2)15-16-8(6)3-4-9(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 249.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 72911349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).