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

C19H20Cl2N6O — CID 19472404

IUPAC[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2cccn2)n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N6O/c20-16-3-1-4-17(21)15(16)13-24-9-11-25(12-10-24)19(28)18-5-8-27(23-18)14-26-7-2-6-22-26/h1-8H,9-14H2
InChIKeyUDZBBULOVRQTAI-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.85
Rot. Bonds5

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

[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone (PubChem CID 19472404) has the molecular formula C19H20Cl2N6O and a molecular weight of 419.32 g/mol. Its IUPAC name is [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
PubChem CID19472404
Molecular FormulaC19H20Cl2N6O
Molecular Weight419.32 g/mol
Exact Mass418.11
IUPAC Name[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2cccn2)n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N6O/c20-16-3-1-4-17(21)15(16)13-24-9-11-25(12-10-24)19(28)18-5-8-27(23-18)14-26-7-2-6-22-26/h1-8H,9-14H2
InChIKeyUDZBBULOVRQTAI-UHFFFAOYSA-N
XLogP2.85
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472452
[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472896
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472453
[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472573
[1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572772
[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472858
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472687
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
ethyl 3-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylate
CID 19279430
(4-chloro-1,3-dimethylpyrazol-5-yl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478940
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472612

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone (CID 19472404) is [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone is O=C(c1ccn(Cn2cccn2)n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone?
The InChIKey is UDZBBULOVRQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O/c20-16-3-1-4-17(21)15(16)13-24-9-11-25(12-10-24)19(28)18-5-8-27(23-18)14-26-7-2-6-22-26/h1-8H,9-14H2.
What are the key properties of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone?
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone has a molecular weight of 419.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 19472404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).