3-(3-pyrazol-1-ylpropoxy)aniline

C12H15N3O — CID 43174290

IUPAC3-(3-pyrazol-1-ylpropoxy)aniline
SMILESNc1cccc(OCCCn2cccn2)c1
InChIInChI=1S/C12H15N3O/c13-11-4-1-5-12(10-11)16-9-3-8-15-7-2-6-14-15/h1-2,4-7,10H,3,8-9,13H2
InChIKeyHUUNMKNOYWYHAO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds5

About 3-(3-pyrazol-1-ylpropoxy)aniline

3-(3-pyrazol-1-ylpropoxy)aniline (PubChem CID 43174290) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3-pyrazol-1-ylpropoxy)aniline.

Molecular Properties

Compound Name3-(3-pyrazol-1-ylpropoxy)aniline
PubChem CID43174290
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(3-pyrazol-1-ylpropoxy)aniline
SMILESNc1cccc(OCCCn2cccn2)c1
InChIInChI=1S/C12H15N3O/c13-11-4-1-5-12(10-11)16-9-3-8-15-7-2-6-14-15/h1-2,4-7,10H,3,8-9,13H2
InChIKeyHUUNMKNOYWYHAO-UHFFFAOYSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenoxypropyl)pyrazole
CID 55028379
3-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]aniline
CID 43366255
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
3-[2-(4-pyrrol-1-ylphenoxy)ethoxy]aniline
CID 122177721
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
3-(3-propoxypropoxy)aniline
CID 43247836
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazol-1-ylpropoxy)aniline?
The IUPAC name of 3-(3-pyrazol-1-ylpropoxy)aniline (CID 43174290) is 3-(3-pyrazol-1-ylpropoxy)aniline.
What is the SMILES notation for 3-(3-pyrazol-1-ylpropoxy)aniline?
The canonical SMILES for 3-(3-pyrazol-1-ylpropoxy)aniline is Nc1cccc(OCCCn2cccn2)c1.
What is the InChIKey of 3-(3-pyrazol-1-ylpropoxy)aniline?
The InChIKey is HUUNMKNOYWYHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-11-4-1-5-12(10-11)16-9-3-8-15-7-2-6-14-15/h1-2,4-7,10H,3,8-9,13H2.
What are the key properties of 3-(3-pyrazol-1-ylpropoxy)aniline?
3-(3-pyrazol-1-ylpropoxy)aniline has a molecular weight of 217.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazol-1-ylpropoxy)aniline is sourced from PubChem (CID 43174290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).