N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide

C10H14F3N3O — CID 63374607

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(2)16-7(4)8(6(3)15-16)14-9(17)10(11,12)13/h5H,1-4H3,(H,14,17)
InChIKeyCOVNXTMOSMZORC-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.58
Rot. Bonds2

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 63374607) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide
PubChem CID63374607
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(2)16-7(4)8(6(3)15-16)14-9(17)10(11,12)13/h5H,1-4H3,(H,14,17)
InChIKeyCOVNXTMOSMZORC-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide (CID 63374607) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide is Cc1nn(C(C)C)c(C)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is COVNXTMOSMZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5(2)16-7(4)8(6(3)15-16)14-9(17)10(11,12)13/h5H,1-4H3,(H,14,17).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 249.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63374607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).