ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate

C12H20N2O2 — CID 145440263

IUPACethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCC.COC(=O)C1CCn2ncc(C)c2C1
InChIInChI=1S/C10H14N2O2.C2H6/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyQWDWDQHVNISVFZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.95
Rot. Bonds1

About ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate

ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 145440263) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID145440263
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCC.COC(=O)C1CCn2ncc(C)c2C1
InChIInChI=1S/C10H14N2O2.C2H6/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyQWDWDQHVNISVFZ-UHFFFAOYSA-N
XLogP1.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate (CID 145440263) is ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate is CC.COC(=O)C1CCn2ncc(C)c2C1.
What is the InChIKey of ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is QWDWDQHVNISVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H6/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2;1-2/h6,8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 145440263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).