1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C13H17N3O2 — CID 91662317

IUPAC1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCC(CC#N)OC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C13H17N3O2/c1-2-10(6-7-14)18-13(17)11-9-15-16-8-4-3-5-12(11)16/h9-10H,2-6,8H2,1H3
InChIKeyIXAWTTHYGIFVRI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.07
Rot. Bonds4

About 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 91662317) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID91662317
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCC(CC#N)OC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C13H17N3O2/c1-2-10(6-7-14)18-13(17)11-9-15-16-8-4-3-5-12(11)16/h9-10H,2-6,8H2,1H3
InChIKeyIXAWTTHYGIFVRI-UHFFFAOYSA-N
XLogP2.07
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 91662317) is 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is CCC(CC#N)OC(=O)c1cnn2c1CCCC2.
What is the InChIKey of 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IXAWTTHYGIFVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-10(6-7-14)18-13(17)11-9-15-16-8-4-3-5-12(11)16/h9-10H,2-6,8H2,1H3.
What are the key properties of 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 91662317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).