N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide

C17H26N4O — CID 74766888

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C17H26N4O/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/h10-11,13,15-16H,1-9,12H2,(H,19,22)
InChIKeyHAAXIHMKDUPVEG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.21
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide (PubChem CID 74766888) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
PubChem CID74766888
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C17H26N4O/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/h10-11,13,15-16H,1-9,12H2,(H,19,22)
InChIKeyHAAXIHMKDUPVEG-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(4-methylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
CID 90125176
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
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)-6-bromopyridine-3-carboxamide
CID 66464440
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclohexyl-1,5-dihydropyrazole-4-carboxamide
CID 90125143
1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
CID 166306826
(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069986
(2S)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069985
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62167795

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide (CID 74766888) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide is O=C(NC1CN2CCC1CC2)c1cnn(C2CCCCC2)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide?
The InChIKey is HAAXIHMKDUPVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/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/h10-11,13,15-16H,1-9,12H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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)-1-cyclohexylpyrazole-4-carboxamide is sourced from PubChem (CID 74766888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).