ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C13H15N5O2 — CID 82587169

IUPACethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ncccn2)c2c1CNCC2
InChIInChI=1S/C13H15N5O2/c1-2-20-12(19)11-9-8-14-7-4-10(9)18(17-11)13-15-5-3-6-16-13/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyMVYFVWMAOBMKFG-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.48
Rot. Bonds3

About ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 82587169) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID82587169
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Nameethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ncccn2)c2c1CNCC2
InChIInChI=1S/C13H15N5O2/c1-2-20-12(19)11-9-8-14-7-4-10(9)18(17-11)13-15-5-3-6-16-13/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyMVYFVWMAOBMKFG-UHFFFAOYSA-N
XLogP0.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 82587169) is ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ncccn2)c2c1CNCC2.
What is the InChIKey of ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is MVYFVWMAOBMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-20-12(19)11-9-8-14-7-4-10(9)18(17-11)13-15-5-3-6-16-13/h3,5-6,14H,2,4,7-8H2,1H3.
What are the key properties of ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 82587169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).