1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine

C16H20Cl2N4 — CID 51326192

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4/c1-12-15(16(18)20(2)19-12)11-21-6-8-22(9-7-21)14-5-3-4-13(17)10-14/h3-5,10H,6-9,11H2,1-2H3
InChIKeyDPIWHAHROAUWOR-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.36
Rot. Bonds3

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine (PubChem CID 51326192) has the molecular formula C16H20Cl2N4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
PubChem CID51326192
Molecular FormulaC16H20Cl2N4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4/c1-12-15(16(18)20(2)19-12)11-21-6-8-22(9-7-21)14-5-3-4-13(17)10-14/h3-5,10H,6-9,11H2,1-2H3
InChIKeyDPIWHAHROAUWOR-UHFFFAOYSA-N
XLogP3.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine 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

5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 51301701
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
1-(3-chlorophenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331809
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chloro-4-fluorophenyl)sulfonylpiperazine
CID 78833769
5-chloro-4-[(3-chlorophenyl)sulfanylmethyl]-1,3-dimethylpyrazole
CID 55101798
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
1-[1-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 138042178

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine (CID 51326192) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine is Cc1nn(C)c(Cl)c1CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is DPIWHAHROAUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4/c1-12-15(16(18)20(2)19-12)11-21-6-8-22(9-7-21)14-5-3-4-13(17)10-14/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 339.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 51326192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).