2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole

C18H21FN4 — CID 10308519

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole
SMILESFc1ccc(N2CCN(CN3Cc4ccccc4N3)CC2)cc1
InChIInChI=1S/C18H21FN4/c19-16-5-7-17(8-6-16)22-11-9-21(10-12-22)14-23-13-15-3-1-2-4-18(15)20-23/h1-8,20H,9-14H2
InChIKeyRNOTZRPUQSZVBN-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.75
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole (PubChem CID 10308519) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole
PubChem CID10308519
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole
SMILESFc1ccc(N2CCN(CN3Cc4ccccc4N3)CC2)cc1
InChIInChI=1S/C18H21FN4/c19-16-5-7-17(8-6-16)22-11-9-21(10-12-22)14-23-13-15-3-1-2-4-18(15)20-23/h1-8,20H,9-14H2
InChIKeyRNOTZRPUQSZVBN-UHFFFAOYSA-N
XLogP2.75
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole (CID 10308519) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole is Fc1ccc(N2CCN(CN3Cc4ccccc4N3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole?
The InChIKey is RNOTZRPUQSZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c19-16-5-7-17(8-6-16)22-11-9-21(10-12-22)14-23-13-15-3-1-2-4-18(15)20-23/h1-8,20H,9-14H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole has a molecular weight of 312.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole is sourced from PubChem (CID 10308519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).