N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide

C15H22N4O — CID 91948639

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CN3CCC2CC3)cc1C1CC1
InChIInChI=1S/C15H22N4O/c1-18-14(11-2-3-11)8-12(17-18)15(20)16-13-9-19-6-4-10(13)5-7-19/h8,10-11,13H,2-7,9H2,1H3,(H,16,20)
InChIKeyFCFYPLDBNUOJOB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.12
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 91948639) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID91948639
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CN3CCC2CC3)cc1C1CC1
InChIInChI=1S/C15H22N4O/c1-18-14(11-2-3-11)8-12(17-18)15(20)16-13-9-19-6-4-10(13)5-7-19/h8,10-11,13H,2-7,9H2,1H3,(H,16,20)
InChIKeyFCFYPLDBNUOJOB-UHFFFAOYSA-N
XLogP1.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
CID 91948681
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 10286182
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91948762
CID 87712170
CID 87712170
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374254
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 91948639) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CN3CCC2CC3)cc1C1CC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is FCFYPLDBNUOJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-14(11-2-3-11)8-12(17-18)15(20)16-13-9-19-6-4-10(13)5-7-19/h8,10-11,13H,2-7,9H2,1H3,(H,16,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.12, 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)-5-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).