3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine

C18H18Cl2N6 — CID 154575990

IUPAC3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESClc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N6/c19-15-3-2-14(16(20)12-15)13-24-8-10-25(11-9-24)17-4-5-18(23-22-17)26-7-1-6-21-26/h1-7,12H,8-11,13H2
InChIKeyYLZTYBHITPNBGX-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.29
Rot. Bonds4

About 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine

3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine (PubChem CID 154575990) has the molecular formula C18H18Cl2N6 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
PubChem CID154575990
Molecular FormulaC18H18Cl2N6
Molecular Weight389.29 g/mol
Exact Mass388.10
IUPAC Name3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESClc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N6/c19-15-3-2-14(16(20)12-15)13-24-8-10-25(11-9-24)17-4-5-18(23-22-17)26-7-1-6-21-26/h1-7,12H,8-11,13H2
InChIKeyYLZTYBHITPNBGX-UHFFFAOYSA-N
XLogP3.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine (CID 154575990) is 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine is Clc1ccc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)c(Cl)c1.
What is the InChIKey of 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The InChIKey is YLZTYBHITPNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6/c19-15-3-2-14(16(20)12-15)13-24-8-10-25(11-9-24)17-4-5-18(23-22-17)26-7-1-6-21-26/h1-7,12H,8-11,13H2.
What are the key properties of 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine?
3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine has a molecular weight of 389.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 154575990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).