4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine

C25H26N4 — CID 53333763

IUPAC4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1-c1cc2c(N3CCC(Cc4ccccc4)CC3)nccn2n1
InChIInChI=1S/C25H26N4/c1-19-7-5-6-10-22(19)23-18-24-25(26-13-16-29(24)27-23)28-14-11-21(12-15-28)17-20-8-3-2-4-9-20/h2-10,13,16,18,21H,11-12,14-15,17H2,1H3
InChIKeyFCBYKUMZALBQRG-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.16
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine

4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333763) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333763
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1-c1cc2c(N3CCC(Cc4ccccc4)CC3)nccn2n1
InChIInChI=1S/C25H26N4/c1-19-7-5-6-10-22(19)23-18-24-25(26-13-16-29(24)27-23)28-14-11-21(12-15-28)17-20-8-3-2-4-9-20/h2-10,13,16,18,21H,11-12,14-15,17H2,1H3
InChIKeyFCBYKUMZALBQRG-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 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine (CID 53333763) is 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine is Cc1ccccc1-c1cc2c(N3CCC(Cc4ccccc4)CC3)nccn2n1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is FCBYKUMZALBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-19-7-5-6-10-22(19)23-18-24-25(26-13-16-29(24)27-23)28-14-11-21(12-15-28)17-20-8-3-2-4-9-20/h2-10,13,16,18,21H,11-12,14-15,17H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine 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 4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).