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

C23H21Cl2N5 — CID 53333566

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C23H21Cl2N5/c1-16-2-5-19(25)14-21(16)28-10-12-29(13-11-28)23-22-15-20(27-30(22)9-8-26-23)17-3-6-18(24)7-4-17/h2-9,14-15H,10-13H2,1H3
InChIKeyNQHIULPGEOFSFU-UHFFFAOYSA-N
MW438.36 g/mol
LogP5.34
Rot. Bonds3

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

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333566) has the molecular formula C23H21Cl2N5 and a molecular weight of 438.36 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333566
Molecular FormulaC23H21Cl2N5
Molecular Weight438.36 g/mol
Exact Mass437.12
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C23H21Cl2N5/c1-16-2-5-19(25)14-21(16)28-10-12-29(13-11-28)23-22-15-20(27-30(22)9-8-26-23)17-3-6-18(24)7-4-17/h2-9,14-15H,10-13H2,1H3
InChIKeyNQHIULPGEOFSFU-UHFFFAOYSA-N
XLogP5.34
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333560
2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 50796500
4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
CID 53333553
2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 50796496
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333556
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
4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333782
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333779
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
2-(2-methylphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333761

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine (CID 53333566) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine is Cc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is NQHIULPGEOFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5/c1-16-2-5-19(25)14-21(16)28-10-12-29(13-11-28)23-22-15-20(27-30(22)9-8-26-23)17-3-6-18(24)7-4-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 438.36 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).