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

C10H10N4O — CID 103294204

IUPAC2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1cccnn1)CCC2
InChIInChI=1S/C10H10N4O/c15-10-7-3-1-4-8(7)13-14(10)9-5-2-6-11-12-9/h2,5-6,13H,1,3-4H2
InChIKeyCWXTWOUVZVXJES-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.44
Rot. Bonds1

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

2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 103294204) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID103294204
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1cccnn1)CCC2
InChIInChI=1S/C10H10N4O/c15-10-7-3-1-4-8(7)13-14(10)9-5-2-6-11-12-9/h2,5-6,13H,1,3-4H2
InChIKeyCWXTWOUVZVXJES-UHFFFAOYSA-N
XLogP0.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 103294204) is 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1-c1cccnn1)CCC2.
What is the InChIKey of 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is CWXTWOUVZVXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10-7-3-1-4-8(7)13-14(10)9-5-2-6-11-12-9/h2,5-6,13H,1,3-4H2.
What are the key properties of 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 202.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 103294204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).