8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane

C19H23N3 — CID 171148045

IUPAC8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane
SMILESC(=Cc1ccccc1)CN1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C19H23N3/c1-2-6-16(7-3-1)8-4-12-21-17-9-10-18(21)15-19(14-17)22-13-5-11-20-22/h1-8,11,13,17-19H,9-10,12,14-15H2
InChIKeyMNTCDVAPZDUNDV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.76
Rot. Bonds4

About 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane

8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane (PubChem CID 171148045) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane
PubChem CID171148045
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane
SMILESC(=Cc1ccccc1)CN1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C19H23N3/c1-2-6-16(7-3-1)8-4-12-21-17-9-10-18(21)15-19(14-17)22-13-5-11-20-22/h1-8,11,13,17-19H,9-10,12,14-15H2
InChIKeyMNTCDVAPZDUNDV-UHFFFAOYSA-N
XLogP3.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-9-[(E)-3-phenylprop-2-enyl]-9-azabicyclo[3.3.1]nonane
CID 129191946
(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
CID 164887957
7-(3-phenylprop-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 77070188
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 134161266
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 71379396
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
CID 111110310
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane (CID 171148045) is 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane is C(=Cc1ccccc1)CN1C2CCC1CC(n1cccn1)C2.
What is the InChIKey of 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is MNTCDVAPZDUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-6-16(7-3-1)8-4-12-21-17-9-10-18(21)15-19(14-17)22-13-5-11-20-22/h1-8,11,13,17-19H,9-10,12,14-15H2.
What are the key properties of 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane?
8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 293.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 171148045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).