N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide

C23H36N4O2 — CID 67021017

IUPACN-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCC(O)CC1
InChIInChI=1S/C23H36N4O2/c1-22(2,3)27-21(26-6-4-18(28)5-7-26)19(14-24-27)20(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h14-18,28H,4-13H2,1-3H3,(H,25,29)
InChIKeyIBPXERAUIBRXTD-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.30
Rot. Bonds3

About N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide

N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide (PubChem CID 67021017) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide
PubChem CID67021017
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCC(O)CC1
InChIInChI=1S/C23H36N4O2/c1-22(2,3)27-21(26-6-4-18(28)5-7-26)19(14-24-27)20(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h14-18,28H,4-13H2,1-3H3,(H,25,29)
InChIKeyIBPXERAUIBRXTD-UHFFFAOYSA-N
XLogP3.30
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide
CID 25011906
N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
CID 67020998
N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 25013379
[1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazol-4-yl] N-(2-adamantyl)carbamate
CID 118234850
(5S)-N-(1-adamantyl)-5,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 149055829
N-(1-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 68743552
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62153733
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
1-tert-butyl-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 71166526
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide (CID 67021017) is N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCC(O)CC1.
What is the InChIKey of N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide?
The InChIKey is IBPXERAUIBRXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-22(2,3)27-21(26-6-4-18(28)5-7-26)19(14-24-27)20(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h14-18,28H,4-13H2,1-3H3,(H,25,29).
What are the key properties of N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide?
N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67021017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).