7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C25H26ClN5 — CID 3785760

IUPAC7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)24(19(2)28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyICSGTXXMPABGEV-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.99
Rot. Bonds4

About 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 3785760) has the molecular formula C25H26ClN5 and a molecular weight of 431.97 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID3785760
Molecular FormulaC25H26ClN5
Molecular Weight431.97 g/mol
Exact Mass431.19
IUPAC Name7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)24(19(2)28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyICSGTXXMPABGEV-UHFFFAOYSA-N
XLogP4.99
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[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-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 3785760) is 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ICSGTXXMPABGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)24(19(2)28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 431.97 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3785760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).