3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

C11H18N4 — CID 3317451

IUPAC3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESC1CCN(Cc2[nH]nc3c2CCN3)CC1
InChIInChI=1S/C11H18N4/c1-2-6-15(7-3-1)8-10-9-4-5-12-11(9)14-13-10/h1-8H2,(H2,12,13,14)
InChIKeyZXMYRHMZJQOZSD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.36
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 3317451) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID3317451
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESC1CCN(Cc2[nH]nc3c2CCN3)CC1
InChIInChI=1S/C11H18N4/c1-2-6-15(7-3-1)8-10-9-4-5-12-11(9)14-13-10/h1-8H2,(H2,12,13,14)
InChIKeyZXMYRHMZJQOZSD-UHFFFAOYSA-N
XLogP1.36
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 3317451) is 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is C1CCN(Cc2[nH]nc3c2CCN3)CC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is ZXMYRHMZJQOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-6-15(7-3-1)8-10-9-4-5-12-11(9)14-13-10/h1-8H2,(H2,12,13,14).
What are the key properties of 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 206.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3317451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).