1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol

C14H27N3O3 — CID 61462857

IUPAC1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNCCn1cccn1
InChIInChI=1S/C14H27N3O3/c1-2-3-9-19-10-11-20-13-14(18)12-15-6-8-17-7-4-5-16-17/h4-5,7,14-15,18H,2-3,6,8-13H2,1H3
InChIKeyZFJPTHBQEGMDPC-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.67
Rot. Bonds13

About 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol

1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol (PubChem CID 61462857) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
PubChem CID61462857
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNCCn1cccn1
InChIInChI=1S/C14H27N3O3/c1-2-3-9-19-10-11-20-13-14(18)12-15-6-8-17-7-4-5-16-17/h4-5,7,14-15,18H,2-3,6,8-13H2,1H3
InChIKeyZFJPTHBQEGMDPC-UHFFFAOYSA-N
XLogP0.67
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
CID 61459658
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-(3-butoxypropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111239286
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol (CID 61462857) is 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol is CCCCOCCOCC(O)CNCCn1cccn1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The InChIKey is ZFJPTHBQEGMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-9-19-10-11-20-13-14(18)12-15-6-8-17-7-4-5-16-17/h4-5,7,14-15,18H,2-3,6,8-13H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 0.67, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 61462857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).