4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine

C18H19ClN6 — CID 154829308

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)c1
InChIInChI=1S/C18H19ClN6/c1-14-11-22-25(12-14)18-10-17(20-13-21-18)24-8-6-23(7-9-24)16-5-3-2-4-15(16)19/h2-5,10-13H,6-9H2,1H3
InChIKeyZPDZJGYTLXFGKZ-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.95
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine

4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 154829308) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID154829308
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)c1
InChIInChI=1S/C18H19ClN6/c1-14-11-22-25(12-14)18-10-17(20-13-21-18)24-8-6-23(7-9-24)16-5-3-2-4-15(16)19/h2-5,10-13H,6-9H2,1H3
InChIKeyZPDZJGYTLXFGKZ-UHFFFAOYSA-N
XLogP2.95
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine 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-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829313
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 122281827
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 36723487
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 80653011
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (CID 154829308) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)c1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is ZPDZJGYTLXFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c1-14-11-22-25(12-14)18-10-17(20-13-21-18)24-8-6-23(7-9-24)16-5-3-2-4-15(16)19/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 354.85 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 154829308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).