1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole

C18H26N4 — CID 23627510

IUPAC1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
SMILESCCc1nn(C2CCCC2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H26N4/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/h7-8,13-14,19H,2-6,9-12H2,1H3
InChIKeyDIXSLKJOUKCGFM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.12
Rot. Bonds3

About 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole

1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole (PubChem CID 23627510) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
PubChem CID23627510
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
SMILESCCc1nn(C2CCCC2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H26N4/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/h7-8,13-14,19H,2-6,9-12H2,1H3
InChIKeyDIXSLKJOUKCGFM-UHFFFAOYSA-N
XLogP3.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.12
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-ylindazole?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole (CID 23627510) is 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole is CCc1nn(C2CCCC2)c2cc(N3CCNCC3)ccc12.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole?
The InChIKey is DIXSLKJOUKCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/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/h7-8,13-14,19H,2-6,9-12H2,1H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole?
1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole has a molecular weight of 298.43 g/mol, XLogP of 3.12, 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-ylindazole is sourced from PubChem (CID 23627510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).