3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C12H21N3 — CID 71055610

IUPAC3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCC(C)c1c2c(nn1CC)CCNC2
InChIInChI=1S/C12H21N3/c1-4-9(3)12-10-8-13-7-6-11(10)14-15(12)5-2/h9,13H,4-8H2,1-3H3
InChIKeyRGUDWYUMBGLHNE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds3

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

3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 71055610) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID71055610
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCC(C)c1c2c(nn1CC)CCNC2
InChIInChI=1S/C12H21N3/c1-4-9(3)12-10-8-13-7-6-11(10)14-15(12)5-2/h9,13H,4-8H2,1-3H3
InChIKeyRGUDWYUMBGLHNE-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 71055610) is 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCC(C)c1c2c(nn1CC)CCNC2.
What is the InChIKey of 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RGUDWYUMBGLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-9(3)12-10-8-13-7-6-11(10)14-15(12)5-2/h9,13H,4-8H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71055610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).