2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C11H11N3O — CID 66022934

IUPAC2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccncc1)CCC2
InChIInChI=1S/C11H11N3O/c15-11-9-2-1-3-10(9)13-14(11)8-4-6-12-7-5-8/h4-7,13H,1-3H2
InChIKeyJZXLANXBLLLLRP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.05
Rot. Bonds1

About 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 66022934) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID66022934
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccncc1)CCC2
InChIInChI=1S/C11H11N3O/c15-11-9-2-1-3-10(9)13-14(11)8-4-6-12-7-5-8/h4-7,13H,1-3H2
InChIKeyJZXLANXBLLLLRP-UHFFFAOYSA-N
XLogP1.05
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 66022934) is 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1-c1ccncc1)CCC2.
What is the InChIKey of 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is JZXLANXBLLLLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11-9-2-1-3-10(9)13-14(11)8-4-6-12-7-5-8/h4-7,13H,1-3H2.
What are the key properties of 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 201.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 66022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).