2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide

C18H22N4O — CID 119708754

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H22N4O/c23-18(11-13-9-15-5-6-16(10-13)20-15)21-14-3-1-4-17(12-14)22-8-2-7-19-22/h1-4,7-8,12-13,15-16,20H,5-6,9-11H2,(H,21,23)
InChIKeyKFKAHWXBBRFPME-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.73
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide (PubChem CID 119708754) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
PubChem CID119708754
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H22N4O/c23-18(11-13-9-15-5-6-16(10-13)20-15)21-14-3-1-4-17(12-14)22-8-2-7-19-22/h1-4,7-8,12-13,15-16,20H,5-6,9-11H2,(H,21,23)
InChIKeyKFKAHWXBBRFPME-UHFFFAOYSA-N
XLogP2.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 119724522
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 119846883
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide (CID 119708754) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide?
The InChIKey is KFKAHWXBBRFPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(11-13-9-15-5-6-16(10-13)20-15)21-14-3-1-4-17(12-14)22-8-2-7-19-22/h1-4,7-8,12-13,15-16,20H,5-6,9-11H2,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.73, 4 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-(3-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 119708754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).