2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C26H28ClN5O — CID 45499247

IUPAC2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCCCCOc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1
InChIInChI=1S/C26H28ClN5O/c1-2-3-17-33-23-9-7-20(8-10-23)24-19-25-26(28-11-12-32(25)29-24)31-15-13-30(14-16-31)22-6-4-5-21(27)18-22/h4-12,18-19H,2-3,13-17H2,1H3
InChIKeyGPBWONTUSBKNCT-UHFFFAOYSA-N
MW462.00 g/mol
LogP5.56
Rot. Bonds7

About 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 45499247) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID45499247
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCCCCOc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1
InChIInChI=1S/C26H28ClN5O/c1-2-3-17-33-23-9-7-20(8-10-23)24-19-25-26(28-11-12-32(25)29-24)31-15-13-30(14-16-31)22-6-4-5-21(27)18-22/h4-12,18-19H,2-3,13-17H2,1H3
InChIKeyGPBWONTUSBKNCT-UHFFFAOYSA-N
XLogP5.56
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 50796471
N-benzyl-1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-methylpiperidine-4-carboxamide
CID 46346478
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 50796496
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333566
2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 50796500
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333556
4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
CID 53333553
2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333560
2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333779
4-piperazin-1-yl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazine
CID 56770899

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 45499247) is 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is CCCCOc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is GPBWONTUSBKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c1-2-3-17-33-23-9-7-20(8-10-23)24-19-25-26(28-11-12-32(25)29-24)31-15-13-30(14-16-31)22-6-4-5-21(27)18-22/h4-12,18-19H,2-3,13-17H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 462.00 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 45499247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).