5-(2-benzylpiperazin-1-yl)-1H-indazole

C18H20N4 — CID 24782486

IUPAC5-(2-benzylpiperazin-1-yl)-1H-indazole
SMILESc1ccc(CC2CNCCN2c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H20N4/c1-2-4-14(5-3-1)10-17-13-19-8-9-22(17)16-6-7-18-15(11-16)12-20-21-18/h1-7,11-12,17,19H,8-10,13H2,(H,20,21)
InChIKeyBLEJWKMRQPRJHY-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.58
Rot. Bonds3

About 5-(2-benzylpiperazin-1-yl)-1H-indazole

5-(2-benzylpiperazin-1-yl)-1H-indazole (PubChem CID 24782486) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(2-benzylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name5-(2-benzylpiperazin-1-yl)-1H-indazole
PubChem CID24782486
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-(2-benzylpiperazin-1-yl)-1H-indazole
SMILESc1ccc(CC2CNCCN2c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H20N4/c1-2-4-14(5-3-1)10-17-13-19-8-9-22(17)16-6-7-18-15(11-16)12-20-21-18/h1-7,11-12,17,19H,8-10,13H2,(H,20,21)
InChIKeyBLEJWKMRQPRJHY-UHFFFAOYSA-N
XLogP2.58
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 5-(2-benzylpiperazin-1-yl)-1H-indazole (CID 24782486) is 5-(2-benzylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 5-(2-benzylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 5-(2-benzylpiperazin-1-yl)-1H-indazole is c1ccc(CC2CNCCN2c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-(2-benzylpiperazin-1-yl)-1H-indazole?
The InChIKey is BLEJWKMRQPRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-4-14(5-3-1)10-17-13-19-8-9-22(17)16-6-7-18-15(11-16)12-20-21-18/h1-7,11-12,17,19H,8-10,13H2,(H,20,21).
What are the key properties of 5-(2-benzylpiperazin-1-yl)-1H-indazole?
5-(2-benzylpiperazin-1-yl)-1H-indazole has a molecular weight of 292.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 24782486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).