N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C24H30N4O2 — CID 24817721

IUPACN-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(C)(O)C#Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-24(2,30)13-9-18-3-5-19(6-4-18)17-27-15-11-21(12-16-27)28-22(10-14-25-28)26-23(29)20-7-8-20/h3-6,10,14,20-21,30H,7-8,11-12,15-17H2,1-2H3,(H,26,29)
InChIKeyFACQMYKGJLMBEC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24817721) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24817721
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(C)(O)C#Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-24(2,30)13-9-18-3-5-19(6-4-18)17-27-15-11-21(12-16-27)28-22(10-14-25-28)26-23(29)20-7-8-20/h3-6,10,14,20-21,30H,7-8,11-12,15-17H2,1-2H3,(H,26,29)
InChIKeyFACQMYKGJLMBEC-UHFFFAOYSA-N
XLogP3.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24817721) is N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CC(C)(O)C#Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is FACQMYKGJLMBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,30)13-9-18-3-5-19(6-4-18)17-27-15-11-21(12-16-27)28-22(10-14-25-28)26-23(29)20-7-8-20/h3-6,10,14,20-21,30H,7-8,11-12,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24817721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).