3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine

C12H23N3O — CID 64783227

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCCC(CC)n1ccc(COCCCN)n1
InChIInChI=1S/C12H23N3O/c1-3-12(4-2)15-8-6-11(14-15)10-16-9-5-7-13/h6,8,12H,3-5,7,9-10,13H2,1-2H3
InChIKeySPYCKIWJWLBPDE-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.11
Rot. Bonds8

About 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine

3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine (PubChem CID 64783227) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
PubChem CID64783227
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCCC(CC)n1ccc(COCCCN)n1
InChIInChI=1S/C12H23N3O/c1-3-12(4-2)15-8-6-11(14-15)10-16-9-5-7-13/h6,8,12H,3-5,7,9-10,13H2,1-2H3
InChIKeySPYCKIWJWLBPDE-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.11
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

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800984
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfonyl]ethanamine
CID 81175995
3-(butoxymethyl)-1-methylpyrazole
CID 122170488
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine (CID 64783227) is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine is CCC(CC)n1ccc(COCCCN)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine?
The InChIKey is SPYCKIWJWLBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-12(4-2)15-8-6-11(14-15)10-16-9-5-7-13/h6,8,12H,3-5,7,9-10,13H2,1-2H3.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine?
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 64783227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).