N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C14H19F3N4O — CID 138042284

IUPACN-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4O/c1-13(2,3)21-9-11(8-18-21)19-12(22)20-6-4-10(5-7-20)14(15,16)17/h4,8-9H,5-7H2,1-3H3,(H,19,22)
InChIKeyVEIOITHSPSYQEB-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.36
Rot. Bonds1

About N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 138042284) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID138042284
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4O/c1-13(2,3)21-9-11(8-18-21)19-12(22)20-6-4-10(5-7-20)14(15,16)17/h4,8-9H,5-7H2,1-3H3,(H,19,22)
InChIKeyVEIOITHSPSYQEB-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 138042284) is N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)n1cc(NC(=O)N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VEIOITHSPSYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-13(2,3)21-9-11(8-18-21)19-12(22)20-6-4-10(5-7-20)14(15,16)17/h4,8-9H,5-7H2,1-3H3,(H,19,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 138042284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).