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

C23H23N5 — CID 53333779

IUPAC2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1-c1cc2c(N3CCN(c4ccccc4)CC3)nccn2n1
InChIInChI=1S/C23H23N5/c1-18-7-5-6-10-20(18)21-17-22-23(24-11-12-28(22)25-21)27-15-13-26(14-16-27)19-8-3-2-4-9-19/h2-12,17H,13-16H2,1H3
InChIKeyJQWQJUSCEMIOKX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.03
Rot. Bonds3

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

2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333779) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID53333779
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1-c1cc2c(N3CCN(c4ccccc4)CC3)nccn2n1
InChIInChI=1S/C23H23N5/c1-18-7-5-6-10-20(18)21-17-22-23(24-11-12-28(22)25-21)27-15-13-26(14-16-27)19-8-3-2-4-9-19/h2-12,17H,13-16H2,1H3
InChIKeyJQWQJUSCEMIOKX-UHFFFAOYSA-N
XLogP4.03
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (CID 53333779) is 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is Cc1ccccc1-c1cc2c(N3CCN(c4ccccc4)CC3)nccn2n1.
What is the InChIKey of 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is JQWQJUSCEMIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-18-7-5-6-10-20(18)21-17-22-23(24-11-12-28(22)25-21)27-15-13-26(14-16-27)19-8-3-2-4-9-19/h2-12,17H,13-16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 369.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).