N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide

C23H36N4O — CID 25011906

IUPACN-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1
InChIInChI=1S/C23H36N4O/c1-23(2,3)27-22(26-7-5-4-6-8-26)19(14-24-27)21(28)25-20-17-10-15-9-16(12-17)13-18(20)11-15/h14-18,20H,4-13H2,1-3H3,(H,25,28)
InChIKeyVLWSIQBJHKARQX-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.18
Rot. Bonds3

About N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide

N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide (PubChem CID 25011906) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide
PubChem CID25011906
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1
InChIInChI=1S/C23H36N4O/c1-23(2,3)27-22(26-7-5-4-6-8-26)19(14-24-27)21(28)25-20-17-10-15-9-16(12-17)13-18(20)11-15/h14-18,20H,4-13H2,1-3H3,(H,25,28)
InChIKeyVLWSIQBJHKARQX-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide
CID 25014045
[1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazol-4-yl] N-(2-adamantyl)carbamate
CID 118234850
N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide
CID 67021017
N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 25013379
1-tert-butyl-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972818
4-[4-(2-adamantylcarbamoyl)-5-propan-2-ylpyrazol-1-yl]benzoic acid
CID 25006688
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]-3-methylbenzoic acid
CID 25002424
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 25203979
4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid
CID 25007063
1-tert-butyl-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 71166526

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide (CID 25011906) is N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1.
What is the InChIKey of N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The InChIKey is VLWSIQBJHKARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-23(2,3)27-22(26-7-5-4-6-8-26)19(14-24-27)21(28)25-20-17-10-15-9-16(12-17)13-18(20)11-15/h14-18,20H,4-13H2,1-3H3,(H,25,28).
What are the key properties of N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide?
N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25011906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).