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

C11H15BrN4O — CID 21083535

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide
SMILESO=C(NC1CN2CCC1CC2)n1cc(Br)cn1
InChIInChI=1S/C11H15BrN4O/c12-9-5-13-16(6-9)11(17)14-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2,(H,14,17)
InChIKeyKRXKVJGMQPWYEQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.30
Rot. Bonds1

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide (PubChem CID 21083535) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide
PubChem CID21083535
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide
SMILESO=C(NC1CN2CCC1CC2)n1cc(Br)cn1
InChIInChI=1S/C11H15BrN4O/c12-9-5-13-16(6-9)11(17)14-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2,(H,14,17)
InChIKeyKRXKVJGMQPWYEQ-UHFFFAOYSA-N
XLogP1.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-methylsulfanylpyrazole-1-carboxamide
CID 10015784
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylpyrazole-1-carboxamide
CID 10085928
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide
CID 21083426
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromopyridine-3-carboxamide
CID 66464440
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]-2-(2-bromophenyl)-1,3-thiazole-5-carboxamide
CID 70026256
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide
CID 69225502
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-bromoindolizine-6-carboxamide
CID 10172247
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(5-bromo-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073342
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-methylphenyl)pyrrole-1-carboxamide
CID 69422647
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717990

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide (CID 21083535) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide is O=C(NC1CN2CCC1CC2)n1cc(Br)cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide?
The InChIKey is KRXKVJGMQPWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c12-9-5-13-16(6-9)11(17)14-10-7-15-3-1-8(10)2-4-15/h5-6,8,10H,1-4,7H2,(H,14,17).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromopyrazole-1-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.30, 1 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)-4-bromopyrazole-1-carboxamide is sourced from PubChem (CID 21083535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).