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

C25H27N5 — CID 2019844

IUPAC7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C25H27N5/c1-19-17-23(29-15-13-28(14-16-29)18-21-9-5-3-6-10-21)30-25(26-19)24(20(2)27-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3
InChIKeySOWWXJQFIFQBAG-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.34
Rot. Bonds4

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

7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 2019844) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID2019844
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C25H27N5/c1-19-17-23(29-15-13-28(14-16-29)18-21-9-5-3-6-10-21)30-25(26-19)24(20(2)27-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3
InChIKeySOWWXJQFIFQBAG-UHFFFAOYSA-N
XLogP4.34
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 2019844) is 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SOWWXJQFIFQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-19-17-23(29-15-13-28(14-16-29)18-21-9-5-3-6-10-21)30-25(26-19)24(20(2)27-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 397.53 g/mol, XLogP of 4.34, 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)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2019844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).