N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C20H26N4O — CID 134161266

IUPACN-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCCc1ccccc1)N1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C20H26N4O/c25-20(21-11-4-8-16-6-2-1-3-7-16)24-17-9-10-18(24)15-19(14-17)23-13-5-12-22-23/h1-3,5-7,12-13,17-19H,4,8-11,14-15H2,(H,21,25)
InChIKeyAVVQKKRSPBUHJR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.39
Rot. Bonds5

About N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 134161266) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID134161266
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCCc1ccccc1)N1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C20H26N4O/c25-20(21-11-4-8-16-6-2-1-3-7-16)24-17-9-10-18(24)15-19(14-17)23-13-5-12-22-23/h1-3,5-7,12-13,17-19H,4,8-11,14-15H2,(H,21,25)
InChIKeyAVVQKKRSPBUHJR-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
(1S,5R)-3-methylsulfanyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409721
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121190256
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
3-[[(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]propanoic acid
CID 122018200
(2R,4R)-4-hydroxy-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000393
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 134161266) is N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCCCc1ccccc1)N1C2CCC1CC(n1cccn1)C2.
What is the InChIKey of N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is AVVQKKRSPBUHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(21-11-4-8-16-6-2-1-3-7-16)24-17-9-10-18(24)15-19(14-17)23-13-5-12-22-23/h1-3,5-7,12-13,17-19H,4,8-11,14-15H2,(H,21,25).
What are the key properties of N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 134161266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).