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

C10H19N3O2 — CID 63932971

IUPAC1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCCOCC(O)CNCCn1cccn1
InChIInChI=1S/C10H19N3O2/c1-2-15-9-10(14)8-11-5-7-13-6-3-4-12-13/h3-4,6,10-11,14H,2,5,7-9H2,1H3
InChIKeyFVOSZWGCSLLZJC-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.13
Rot. Bonds8

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

1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol (PubChem CID 63932971) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
PubChem CID63932971
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCCOCC(O)CNCCn1cccn1
InChIInChI=1S/C10H19N3O2/c1-2-15-9-10(14)8-11-5-7-13-6-3-4-12-13/h3-4,6,10-11,14H,2,5,7-9H2,1H3
InChIKeyFVOSZWGCSLLZJC-UHFFFAOYSA-N
XLogP-0.13
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.13
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-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 95352501
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
N-ethoxy-2-pyrazol-1-ylethanamine
CID 62067950
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol (CID 63932971) is 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol is CCOCC(O)CNCCn1cccn1.
What is the InChIKey of 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
The InChIKey is FVOSZWGCSLLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-15-9-10(14)8-11-5-7-13-6-3-4-12-13/h3-4,6,10-11,14H,2,5,7-9H2,1H3.
What are the key properties of 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol?
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol has a molecular weight of 213.28 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 63932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).