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

C15H17ClN2 — CID 66020393

IUPAC3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1cc(C)c(-n2nc3c(c2Cl)CCC3)c(C)c1
InChIInChI=1S/C15H17ClN2/c1-9-7-10(2)14(11(3)8-9)18-15(16)12-5-4-6-13(12)17-18/h7-8H,4-6H2,1-3H3
InChIKeyOSFUNWXDAMSMGH-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.94
Rot. Bonds1

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

3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66020393) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66020393
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1cc(C)c(-n2nc3c(c2Cl)CCC3)c(C)c1
InChIInChI=1S/C15H17ClN2/c1-9-7-10(2)14(11(3)8-9)18-15(16)12-5-4-6-13(12)17-18/h7-8H,4-6H2,1-3H3
InChIKeyOSFUNWXDAMSMGH-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66020393) is 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1cc(C)c(-n2nc3c(c2Cl)CCC3)c(C)c1.
What is the InChIKey of 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is OSFUNWXDAMSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-9-7-10(2)14(11(3)8-9)18-15(16)12-5-4-6-13(12)17-18/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 260.77 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66020393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).