3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C10H14F3N3O — CID 72843899

IUPAC3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-16-5-8(7(2)15-16)9(17)14-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyVYAIKPSPPLHXIR-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 72843899) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID72843899
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-16-5-8(7(2)15-16)9(17)14-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyVYAIKPSPPLHXIR-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 72843899) is 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCCn1cc(C(=O)NCC(F)(F)F)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is VYAIKPSPPLHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-16-5-8(7(2)15-16)9(17)14-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 72843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).