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

C26H28N4 — CID 53333647

IUPAC4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C26H28N4/c1-19-8-9-23(20(2)16-19)24-18-25-26(27-12-15-30(25)28-24)29-13-10-22(11-14-29)17-21-6-4-3-5-7-21/h3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3
InChIKeyZHCXDWKZNHTPAG-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.47
Rot. Bonds4

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

4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333647) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333647
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C26H28N4/c1-19-8-9-23(20(2)16-19)24-18-25-26(27-12-15-30(25)28-24)29-13-10-22(11-14-29)17-21-6-4-3-5-7-21/h3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3
InChIKeyZHCXDWKZNHTPAG-UHFFFAOYSA-N
XLogP5.47
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333763
4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 53333721
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
2-(2-methylphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333761
4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333782
N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 53086071
2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333779
(3S)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95073695
1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
CID 56771070
2-(2-methylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333772
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
CID 92892149

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine (CID 53333647) is 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine is Cc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)c(C)c1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is ZHCXDWKZNHTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-19-8-9-23(20(2)16-19)24-18-25-26(27-12-15-30(25)28-24)29-13-10-22(11-14-29)17-21-6-4-3-5-7-21/h3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine?
4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 396.54 g/mol, XLogP of 5.47, 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-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).