2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C10H16N4O — CID 105461939

IUPAC2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCNCC1)CNC2
InChIInChI=1S/C10H16N4O/c15-10-8-5-12-6-9(8)13-14(10)7-1-3-11-4-2-7/h7,11-13H,1-6H2
InChIKeyPOSNFYUBGDYLQU-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.30
Rot. Bonds1

About 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 105461939) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID105461939
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCNCC1)CNC2
InChIInChI=1S/C10H16N4O/c15-10-8-5-12-6-9(8)13-14(10)7-1-3-11-4-2-7/h7,11-13H,1-6H2
InChIKeyPOSNFYUBGDYLQU-UHFFFAOYSA-N
XLogP-0.30
TPSA61.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 105461939) is 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1C1CCNCC1)CNC2.
What is the InChIKey of 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is POSNFYUBGDYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-8-5-12-6-9(8)13-14(10)7-1-3-11-4-2-7/h7,11-13H,1-6H2.
What are the key properties of 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105461939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).