N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide

C24H38N4O2 — CID 163661242

IUPACN-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide
SMILESCCCOc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CCC1CCNCC1
InChIInChI=1S/C24H38N4O2/c1-2-9-30-23-21(16-26-28(23)8-5-17-3-6-25-7-4-17)22(29)27-24-13-18-10-19(14-24)12-20(11-18)15-24/h16-20,25H,2-15H2,1H3,(H,27,29)
InChIKeyIUOKQCDQGVBBKS-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.76
Rot. Bonds8

About N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide

N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide (PubChem CID 163661242) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide
PubChem CID163661242
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide
SMILESCCCOc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CCC1CCNCC1
InChIInChI=1S/C24H38N4O2/c1-2-9-30-23-21(16-26-28(23)8-5-17-3-6-25-7-4-17)22(29)27-24-13-18-10-19(14-24)12-20(11-18)15-24/h16-20,25H,2-15H2,1H3,(H,27,29)
InChIKeyIUOKQCDQGVBBKS-UHFFFAOYSA-N
XLogP3.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide (CID 163661242) is N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide is CCCOc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1CCC1CCNCC1.
What is the InChIKey of N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide?
The InChIKey is IUOKQCDQGVBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-2-9-30-23-21(16-26-28(23)8-5-17-3-6-25-7-4-17)22(29)27-24-13-18-10-19(14-24)12-20(11-18)15-24/h16-20,25H,2-15H2,1H3,(H,27,29).
What are the key properties of N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide?
N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2-piperidin-4-ylethyl)-5-propoxypyrazole-4-carboxamide is sourced from PubChem (CID 163661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).