[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

C23H25ClN4O2 — CID 9475070

IUPAC[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-18-10-11-25-28(18)21-6-2-19(3-7-21)23(29)27-14-12-26(13-15-27)16-17-30-22-8-4-20(24)5-9-22/h2-11H,12-17H2,1H3
InChIKeyYZNJCWFGQZWNDE-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.67
Rot. Bonds6

About [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 9475070) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
PubChem CID9475070
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-18-10-11-25-28(18)21-6-2-19(3-7-21)23(29)27-14-12-26(13-15-27)16-17-30-22-8-4-20(24)5-9-22/h2-11H,12-17H2,1H3
InChIKeyYZNJCWFGQZWNDE-UHFFFAOYSA-N
XLogP3.67
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17401105
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27847235
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 31281697
1-[5-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 18114957

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone (CID 9475070) is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is YZNJCWFGQZWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-18-10-11-25-28(18)21-6-2-19(3-7-21)23(29)27-14-12-26(13-15-27)16-17-30-22-8-4-20(24)5-9-22/h2-11H,12-17H2,1H3.
What are the key properties of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 424.93 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 9475070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).