2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile

C8H11N3O2 — CID 177342173

IUPAC2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile
SMILESCC(O)Cn1ccc(OCC#N)n1
InChIInChI=1S/C8H11N3O2/c1-7(12)6-11-4-2-8(10-11)13-5-3-9/h2,4,7,12H,5-6H2,1H3
InChIKeyIYQBPLVMWFVQBX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.17
Rot. Bonds4

About 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile

2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile (PubChem CID 177342173) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile
PubChem CID177342173
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile
SMILESCC(O)Cn1ccc(OCC#N)n1
InChIInChI=1S/C8H11N3O2/c1-7(12)6-11-4-2-8(10-11)13-5-3-9/h2,4,7,12H,5-6H2,1H3
InChIKeyIYQBPLVMWFVQBX-UHFFFAOYSA-N
XLogP0.17
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile?
The IUPAC name of 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile (CID 177342173) is 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile.
What is the SMILES notation for 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile?
The canonical SMILES for 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile is CC(O)Cn1ccc(OCC#N)n1.
What is the InChIKey of 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile?
The InChIKey is IYQBPLVMWFVQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-7(12)6-11-4-2-8(10-11)13-5-3-9/h2,4,7,12H,5-6H2,1H3.
What are the key properties of 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile?
2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile has a molecular weight of 181.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxypropyl)pyrazol-3-yl]oxyacetonitrile is sourced from PubChem (CID 177342173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).