1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol

C17H23N3O2 — CID 15916952

IUPAC1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1cccn1
InChIInChI=1S/C17H23N3O2/c1-13(2)18-11-15(21)12-22-17-8-5-4-7-16(17)14(3)20-10-6-9-19-20/h4-10,13,15,18,21H,3,11-12H2,1-2H3
InChIKeySEFIDNYXHCEDOB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.14
Rot. Bonds8

About 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol

1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol (PubChem CID 15916952) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
PubChem CID15916952
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1cccn1
InChIInChI=1S/C17H23N3O2/c1-13(2)18-11-15(21)12-22-17-8-5-4-7-16(17)14(3)20-10-6-9-19-20/h4-10,13,15,18,21H,3,11-12H2,1-2H3
InChIKeySEFIDNYXHCEDOB-UHFFFAOYSA-N
XLogP2.14
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol (CID 15916952) is 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol is C=C(c1ccccc1OCC(O)CNC(C)C)n1cccn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol?
The InChIKey is SEFIDNYXHCEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)18-11-15(21)12-22-17-8-5-4-7-16(17)14(3)20-10-6-9-19-20/h4-10,13,15,18,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol?
1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol is sourced from PubChem (CID 15916952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).