4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine

C29H26ClN5 — CID 53333556

IUPAC4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
SMILESClc1ccc(-c2cc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nccn3n2)cc1
InChIInChI=1S/C29H26ClN5/c30-25-13-11-22(12-14-25)26-21-27-29(31-15-16-35(27)32-26)34-19-17-33(18-20-34)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,21,28H,17-20H2
InChIKeyXNBAOXWNICWICS-UHFFFAOYSA-N
MW480.02 g/mol
LogP5.96
Rot. Bonds5

About 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine

4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333556) has the molecular formula C29H26ClN5 and a molecular weight of 480.02 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333556
Molecular FormulaC29H26ClN5
Molecular Weight480.02 g/mol
Exact Mass479.19
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
SMILESClc1ccc(-c2cc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nccn3n2)cc1
InChIInChI=1S/C29H26ClN5/c30-25-13-11-22(12-14-25)26-21-27-29(31-15-16-35(27)32-26)34-19-17-33(18-20-34)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,21,28H,17-20H2
InChIKeyXNBAOXWNICWICS-UHFFFAOYSA-N
XLogP5.96
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.02
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 50796500
4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 133487929
4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
CID 53333553
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333566
2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 50796496
2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333560
4-piperazin-1-yl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazine
CID 56770899
2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 45499247
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 54333305
(3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 92892093

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine (CID 53333556) is 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine is Clc1ccc(-c2cc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nccn3n2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is XNBAOXWNICWICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5/c30-25-13-11-22(12-14-25)26-21-27-29(31-15-16-35(27)32-26)34-19-17-33(18-20-34)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,21,28H,17-20H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 480.02 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).