N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide

C17H28N4O — CID 90125143

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1=CN(C2CCCCC2)NC1
InChIInChI=1S/C17H28N4O/c22-17(19-16-12-20-8-6-13(16)7-9-20)14-10-18-21(11-14)15-4-2-1-3-5-15/h11,13,15-16,18H,1-10,12H2,(H,19,22)
InChIKeyNBUGMZGTICCOND-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.23
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide (PubChem CID 90125143) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide
PubChem CID90125143
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)C1=CN(C2CCCCC2)NC1
InChIInChI=1S/C17H28N4O/c22-17(19-16-12-20-8-6-13(16)7-9-20)14-10-18-21(11-14)15-4-2-1-3-5-15/h11,13,15-16,18H,1-10,12H2,(H,19,22)
InChIKeyNBUGMZGTICCOND-UHFFFAOYSA-N
XLogP1.23
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
CID 74766888
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylcyclopropene-1-carboxamide
CID 129083381
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
CID 67231262
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
CID 18181690
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide (CID 90125143) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide is O=C(NC1CN2CCC1CC2)C1=CN(C2CCCCC2)NC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide?
The InChIKey is NBUGMZGTICCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-17(19-16-12-20-8-6-13(16)7-9-20)14-10-18-21(11-14)15-4-2-1-3-5-15/h11,13,15-16,18H,1-10,12H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 90125143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).