3-methyl-1-phenyl-6-piperazin-1-ylindazole

C18H20N4 — CID 56677001

IUPAC3-methyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
InChIKeyIJXVCBFUFHZBRC-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-1-phenyl-6-piperazin-1-ylindazole

3-methyl-1-phenyl-6-piperazin-1-ylindazole (PubChem CID 56677001) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-piperazin-1-ylindazole
PubChem CID56677001
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-methyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
InChIKeyIJXVCBFUFHZBRC-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-piperazin-1-ylindazole?
The IUPAC name of 3-methyl-1-phenyl-6-piperazin-1-ylindazole (CID 56677001) is 3-methyl-1-phenyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 3-methyl-1-phenyl-6-piperazin-1-ylindazole?
The canonical SMILES for 3-methyl-1-phenyl-6-piperazin-1-ylindazole is Cc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12.
What is the InChIKey of 3-methyl-1-phenyl-6-piperazin-1-ylindazole?
The InChIKey is IJXVCBFUFHZBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 3-methyl-1-phenyl-6-piperazin-1-ylindazole?
3-methyl-1-phenyl-6-piperazin-1-ylindazole has a molecular weight of 292.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-piperazin-1-ylindazole is sourced from PubChem (CID 56677001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).