N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C23H36N4O — CID 42209771

IUPACN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C23H36N4O/c1-23(2,3)22(28)25-20-4-7-24-27(20)19-5-8-26(9-6-19)21-17-11-15-10-16(13-17)14-18(21)12-15/h4,7,15-19,21H,5-6,8-14H2,1-3H3,(H,25,28)
InChIKeyULFYZMNBPFVSIK-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.33
Rot. Bonds3

About N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 42209771) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID42209771
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C23H36N4O/c1-23(2,3)22(28)25-20-4-7-24-27(20)19-5-8-26(9-6-19)21-17-11-15-10-16(13-17)14-18(21)12-15/h4,7,15-19,21H,5-6,8-14H2,1-3H3,(H,25,28)
InChIKeyULFYZMNBPFVSIK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Adamantyl)-3-(1-ethylpyrazol-3-yl)urea
CID 71602996
3,5-Dimethyl-N-(1-methyl-1H-pyrazol-3-YL)-1-adamantanecarboxamide
CID 4776255
2,2-dimethyl-N-[1-(1'-propyl-1,4'-bipiperidin-4-yl)-1H-pyrazol-5-yl]propanamide
CID 26316039
N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26327196
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35966346
N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 42151618
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42240033
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 42415266
N-{1-[1-(1-adamantylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45203039
3-chloro-N-(2-cyclopentylpyrazol-3-yl)adamantane-1-carboxamide
CID 45839191
tert-Butyl-5-piperidin-1-yl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25011906

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 42209771) is N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is ULFYZMNBPFVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-23(2,3)22(28)25-20-4-7-24-27(20)19-5-8-26(9-6-19)21-17-11-15-10-16(13-17)14-18(21)12-15/h4,7,15-19,21H,5-6,8-14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 384.57 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42209771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).