3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C12H9Cl3N2 — CID 66021756

IUPAC3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CCC3)cc1Cl
InChIInChI=1S/C12H9Cl3N2/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3H2
InChIKeyYLBUNFSUHLJPKY-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.32
Rot. Bonds1

About 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66021756) has the molecular formula C12H9Cl3N2 and a molecular weight of 287.58 g/mol. Its IUPAC name is 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66021756
Molecular FormulaC12H9Cl3N2
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CCC3)cc1Cl
InChIInChI=1S/C12H9Cl3N2/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3H2
InChIKeyYLBUNFSUHLJPKY-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66021756) is 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is Clc1ccc(-n2nc3c(c2Cl)CCC3)cc1Cl.
What is the InChIKey of 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is YLBUNFSUHLJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2/c13-9-5-4-7(6-10(9)14)17-12(15)8-2-1-3-11(8)16-17/h4-6H,1-3H2.
What are the key properties of 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 287.58 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66021756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).