[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate

C10H13N3O2 — CID 70257962

IUPAC[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate
SMILESCC(=O)On1cc(C2=CCNCC2)cn1
InChIInChI=1S/C10H13N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h2,6-7,11H,3-5H2,1H3
InChIKeyLELZTXUUZQGEFM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.23
Rot. Bonds2

About [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate

[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate (PubChem CID 70257962) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate.

Molecular Properties

Compound Name[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate
PubChem CID70257962
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate
SMILESCC(=O)On1cc(C2=CCNCC2)cn1
InChIInChI=1S/C10H13N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h2,6-7,11H,3-5H2,1H3
InChIKeyLELZTXUUZQGEFM-UHFFFAOYSA-N
XLogP0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Piperidin-4-ylpyrazol-1-yl) acetate
CID 57254821
[4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl] 2,2-dimethylpropanoate
CID 174735891
tert-butyl formate;4-(1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 174735892

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate?
The IUPAC name of [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate (CID 70257962) is [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate.
What is the SMILES notation for [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate?
The canonical SMILES for [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate is CC(=O)On1cc(C2=CCNCC2)cn1.
What is the InChIKey of [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate?
The InChIKey is LELZTXUUZQGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h2,6-7,11H,3-5H2,1H3.
What are the key properties of [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate?
[4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate has a molecular weight of 207.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl] acetate is sourced from PubChem (CID 70257962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).