1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol

C15H29N3O2 — CID 61459658

IUPAC1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNC(C)Cn1cccn1
InChIInChI=1S/C15H29N3O2/c1-3-4-5-6-10-20-13-15(19)11-16-14(2)12-18-9-7-8-17-18/h7-9,14-16,19H,3-6,10-13H2,1-2H3
InChIKeyDTHXOVYTFJVBPG-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.82
Rot. Bonds12

About 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol

1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 61459658) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID61459658
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNC(C)Cn1cccn1
InChIInChI=1S/C15H29N3O2/c1-3-4-5-6-10-20-13-15(19)11-16-14(2)12-18-9-7-8-17-18/h7-9,14-16,19H,3-6,10-13H2,1-2H3
InChIKeyDTHXOVYTFJVBPG-UHFFFAOYSA-N
XLogP1.82
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857
1-hexoxy-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61222794
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol (CID 61459658) is 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol is CCCCCCOCC(O)CNC(C)Cn1cccn1.
What is the InChIKey of 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is DTHXOVYTFJVBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-4-5-6-10-20-13-15(19)11-16-14(2)12-18-9-7-8-17-18/h7-9,14-16,19H,3-6,10-13H2,1-2H3.
What are the key properties of 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol?
1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 1.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61459658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).