2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride

C23H33ClN4O — CID 119704778

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CC2CC3CCC(C2)N3)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C23H32N4O.ClH/c1-23(2,3)20-14-21(27(26-20)15-16-7-5-4-6-8-16)25-22(28)13-17-11-18-9-10-19(12-17)24-18;/h4-8,14,17-19,24H,9-13,15H2,1-3H3,(H,25,28);1H
InChIKeyOUWMFQIJVSSGBF-UHFFFAOYSA-N
MW417.00 g/mol
LogP4.51
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride (PubChem CID 119704778) has the molecular formula C23H33ClN4O and a molecular weight of 417.00 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
PubChem CID119704778
Molecular FormulaC23H33ClN4O
Molecular Weight417.00 g/mol
Exact Mass416.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CC2CC3CCC(C2)N3)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C23H32N4O.ClH/c1-23(2,3)20-14-21(27(26-20)15-16-7-5-4-6-8-16)25-22(28)13-17-11-18-9-10-19(12-17)24-18;/h4-8,14,17-19,24H,9-13,15H2,1-3H3,(H,25,28);1H
InChIKeyOUWMFQIJVSSGBF-UHFFFAOYSA-N
XLogP4.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.00
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
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CID 119704768
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
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7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119794353
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride (CID 119704778) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride is CC(C)(C)c1cc(NC(=O)CC2CC3CCC(C2)N3)n(Cc2ccccc2)n1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride?
The InChIKey is OUWMFQIJVSSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.ClH/c1-23(2,3)20-14-21(27(26-20)15-16-7-5-4-6-8-16)25-22(28)13-17-11-18-9-10-19(12-17)24-18;/h4-8,14,17-19,24H,9-13,15H2,1-3H3,(H,25,28);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride has a molecular weight of 417.00 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).