2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C12H10Cl2N2O — CID 61381814

IUPAC2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=C1C2CCCC2=NN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-7-4-5-11(9(14)6-7)16-12(17)8-2-1-3-10(8)15-16/h4-6,8H,1-3H2
InChIKeyZNKBKOBMKVTKCH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.50
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 61381814) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID61381814
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=C1C2CCCC2=NN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-7-4-5-11(9(14)6-7)16-12(17)8-2-1-3-10(8)15-16/h4-6,8H,1-3H2
InChIKeyZNKBKOBMKVTKCH-UHFFFAOYSA-N
XLogP3.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 61381814) is 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=C1C2CCCC2=NN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is ZNKBKOBMKVTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-7-4-5-11(9(14)6-7)16-12(17)8-2-1-3-10(8)15-16/h4-6,8H,1-3H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 269.13 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 61381814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).