1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole

C18H28N4 — CID 71273026

IUPAC1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole
SMILESCCc1nn(C2CCCC2)c2c1C=CC(N1CCNCC1)C2
InChIInChI=1S/C18H28N4/c1-2-17-16-8-7-15(21-11-9-19-10-12-21)13-18(16)22(20-17)14-5-3-4-6-14/h7-8,14-15,19H,2-6,9-13H2,1H3
InChIKeyJJURNIBKYCLWDG-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.40
Rot. Bonds3

About 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole

1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole (PubChem CID 71273026) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole
PubChem CID71273026
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole
SMILESCCc1nn(C2CCCC2)c2c1C=CC(N1CCNCC1)C2
InChIInChI=1S/C18H28N4/c1-2-17-16-8-7-15(21-11-9-19-10-12-21)13-18(16)22(20-17)14-5-3-4-6-14/h7-8,14-15,19H,2-6,9-13H2,1H3
InChIKeyJJURNIBKYCLWDG-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole (CID 71273026) is 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole is CCc1nn(C2CCCC2)c2c1C=CC(N1CCNCC1)C2.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole?
The InChIKey is JJURNIBKYCLWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-17-16-8-7-15(21-11-9-19-10-12-21)13-18(16)22(20-17)14-5-3-4-6-14/h7-8,14-15,19H,2-6,9-13H2,1H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole?
1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole has a molecular weight of 300.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole is sourced from PubChem (CID 71273026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).