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

C18H21FN2 — CID 10859040

IUPAC3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFc1ccccc1-n1nc2c(c1C1CCCCC1)CCC2
InChIInChI=1S/C18H21FN2/c19-15-10-4-5-12-17(15)21-18(13-7-2-1-3-8-13)14-9-6-11-16(14)20-21/h4-5,10,12-13H,1-3,6-9,11H2
InChIKeyRHJIJOZPPJUROR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.55
Rot. Bonds2

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

3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 10859040) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID10859040
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFc1ccccc1-n1nc2c(c1C1CCCCC1)CCC2
InChIInChI=1S/C18H21FN2/c19-15-10-4-5-12-17(15)21-18(13-7-2-1-3-8-13)14-9-6-11-16(14)20-21/h4-5,10,12-13H,1-3,6-9,11H2
InChIKeyRHJIJOZPPJUROR-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 10859040) is 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is Fc1ccccc1-n1nc2c(c1C1CCCCC1)CCC2.
What is the InChIKey of 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is RHJIJOZPPJUROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-15-10-4-5-12-17(15)21-18(13-7-2-1-3-8-13)14-9-6-11-16(14)20-21/h4-5,10,12-13H,1-3,6-9,11H2.
What are the key properties of 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 284.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 10859040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).