2-(1-pentylpyrazol-4-yl)oxyethanamine

C10H19N3O — CID 164576517

IUPAC2-(1-pentylpyrazol-4-yl)oxyethanamine
SMILESCCCCCn1cc(OCCN)cn1
InChIInChI=1S/C10H19N3O/c1-2-3-4-6-13-9-10(8-12-13)14-7-5-11/h8-9H,2-7,11H2,1H3
InChIKeyGRZDBXATVQFLAR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.41
Rot. Bonds7

About 2-(1-pentylpyrazol-4-yl)oxyethanamine

2-(1-pentylpyrazol-4-yl)oxyethanamine (PubChem CID 164576517) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-pentylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-pentylpyrazol-4-yl)oxyethanamine
PubChem CID164576517
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(1-pentylpyrazol-4-yl)oxyethanamine
SMILESCCCCCn1cc(OCCN)cn1
InChIInChI=1S/C10H19N3O/c1-2-3-4-6-13-9-10(8-12-13)14-7-5-11/h8-9H,2-7,11H2,1H3
InChIKeyGRZDBXATVQFLAR-UHFFFAOYSA-N
XLogP1.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.41
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

1-ethyl-4-hexoxypyrazole
CID 116804751
4-propoxy-1-propylpyrazole
CID 116805185
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164885761
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
ethyl 2-(methylamino)-4-(4-propoxypyrazol-1-yl)butanoate
CID 114274344

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentylpyrazol-4-yl)oxyethanamine?
The IUPAC name of 2-(1-pentylpyrazol-4-yl)oxyethanamine (CID 164576517) is 2-(1-pentylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for 2-(1-pentylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for 2-(1-pentylpyrazol-4-yl)oxyethanamine is CCCCCn1cc(OCCN)cn1.
What is the InChIKey of 2-(1-pentylpyrazol-4-yl)oxyethanamine?
The InChIKey is GRZDBXATVQFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-4-6-13-9-10(8-12-13)14-7-5-11/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-(1-pentylpyrazol-4-yl)oxyethanamine?
2-(1-pentylpyrazol-4-yl)oxyethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentylpyrazol-4-yl)oxyethanamine is sourced from PubChem (CID 164576517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).