7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine

C23H22ClN5 — CID 4144309

IUPAC7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3
InChIKeyDDIVBPLWDQUZHC-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.68
Rot. Bonds3

About 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine

7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 4144309) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID4144309
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3
InChIKeyDDIVBPLWDQUZHC-UHFFFAOYSA-N
XLogP4.68
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine (CID 4144309) is 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DDIVBPLWDQUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 403.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4144309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).