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

C25H26N4 — CID 3615753

IUPAC7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyKDJALCKNQHRNLC-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.16
Rot. Bonds4

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

7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3615753) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3615753
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyKDJALCKNQHRNLC-UHFFFAOYSA-N
XLogP5.16
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3615753) is 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KDJALCKNQHRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3.
What are the key properties of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 382.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3615753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).