5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide

C17H24N4O2 — CID 162675834

IUPAC5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C17H24N4O2/c1-16(2,3)13-10-12(15(23)19-17(4,5)11-22)20-21(13)14-8-6-7-9-18-14/h6-10,22H,11H2,1-5H3,(H,19,23)
InChIKeyIGKSTLYCEXOOBS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds4

About 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 162675834) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID162675834
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C17H24N4O2/c1-16(2,3)13-10-12(15(23)19-17(4,5)11-22)20-21(13)14-8-6-7-9-18-14/h6-10,22H,11H2,1-5H3,(H,19,23)
InChIKeyIGKSTLYCEXOOBS-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide (CID 162675834) is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccccn2)n1.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is IGKSTLYCEXOOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-16(2,3)13-10-12(15(23)19-17(4,5)11-22)20-21(13)14-8-6-7-9-18-14/h6-10,22H,11H2,1-5H3,(H,19,23).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide?
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 162675834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).