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

C16H23N3O2 — CID 15917632

IUPAC1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1Cn1cccn1
InChIInChI=1S/C16H23N3O2/c1-13(2)17-10-15(20)12-21-16-7-4-3-6-14(16)11-19-9-5-8-18-19/h3-9,13,15,17,20H,10-12H2,1-2H3
InChIKeyAGXGYTAIZSDDTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds8

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

1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol (PubChem CID 15917632) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
PubChem CID15917632
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1Cn1cccn1
InChIInChI=1S/C16H23N3O2/c1-13(2)17-10-15(20)12-21-16-7-4-3-6-14(16)11-19-9-5-8-18-19/h3-9,13,15,17,20H,10-12H2,1-2H3
InChIKeyAGXGYTAIZSDDTQ-UHFFFAOYSA-N
XLogP1.67
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
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-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol (CID 15917632) is 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol is CC(C)NCC(O)COc1ccccc1Cn1cccn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is AGXGYTAIZSDDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)17-10-15(20)12-21-16-7-4-3-6-14(16)11-19-9-5-8-18-19/h3-9,13,15,17,20H,10-12H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol?
1-(propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.67, 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-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 15917632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).