tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate

C15H19N3O2 — CID 146648401

IUPACtert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate
SMILESCc1cn(CC(=O)OC(C)(C)C)nc1-c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-13(19)20-15(2,3)4)17-14(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3
InChIKeyVOKGRCXGGREDKO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate

tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate (PubChem CID 146648401) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate
PubChem CID146648401
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate
SMILESCc1cn(CC(=O)OC(C)(C)C)nc1-c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-13(19)20-15(2,3)4)17-14(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3
InChIKeyVOKGRCXGGREDKO-UHFFFAOYSA-N
XLogP2.60
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate (CID 146648401) is tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate is Cc1cn(CC(=O)OC(C)(C)C)nc1-c1ccccn1.
What is the InChIKey of tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate?
The InChIKey is VOKGRCXGGREDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-18(10-13(19)20-15(2,3)4)17-14(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3.
What are the key properties of tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate?
tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate is sourced from PubChem (CID 146648401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).