[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

C24H26Cl2N4O — CID 19327676

IUPAC[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4c(Cl)cccc4Cl)CC3)cc2)n1
InChIInChI=1S/C24H26Cl2N4O/c1-17-14-18(2)30(27-17)15-19-6-8-20(9-7-19)24(31)29-12-10-28(11-13-29)16-21-22(25)4-3-5-23(21)26/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyIGBXDFKEURVINU-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.81
Rot. Bonds5

About [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (PubChem CID 19327676) has the molecular formula C24H26Cl2N4O and a molecular weight of 457.41 g/mol. Its IUPAC name is [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
PubChem CID19327676
Molecular FormulaC24H26Cl2N4O
Molecular Weight457.41 g/mol
Exact Mass456.15
IUPAC Name[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4c(Cl)cccc4Cl)CC3)cc2)n1
InChIInChI=1S/C24H26Cl2N4O/c1-17-14-18(2)30(27-17)15-19-6-8-20(9-7-19)24(31)29-12-10-28(11-13-29)16-21-22(25)4-3-5-23(21)26/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyIGBXDFKEURVINU-UHFFFAOYSA-N
XLogP4.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111105286
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperazin-1-ylmethanone
CID 119400480
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35323959
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 48981094
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 19290953
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 48981634
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 47084944
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333727
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
[(3R)-3-aminopyrrolidin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119409665

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (CID 19327676) is [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4c(Cl)cccc4Cl)CC3)cc2)n1.
What is the InChIKey of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is IGBXDFKEURVINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O/c1-17-14-18(2)30(27-17)15-19-6-8-20(9-7-19)24(31)29-12-10-28(11-13-29)16-21-22(25)4-3-5-23(21)26/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 457.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 19327676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).