N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine

C15H21N3O — CID 60765949

IUPACN-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCCCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-14(13-18-11-5-10-17-18)16-9-6-12-19-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3
InChIKeyOISOYHOMJVBPEN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.33
Rot. Bonds8

About N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine

N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 60765949) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID60765949
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCCCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-14(13-18-11-5-10-17-18)16-9-6-12-19-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3
InChIKeyOISOYHOMJVBPEN-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279364
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
1-(3-phenoxypropyl)pyrazole
CID 55028379
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine (CID 60765949) is N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCCCOc1ccccc1.
What is the InChIKey of N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is OISOYHOMJVBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-14(13-18-11-5-10-17-18)16-9-6-12-19-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3.
What are the key properties of N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine?
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 60765949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).