4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine

C18H21N5O — CID 133487895

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCOc1ccccc1N1CCN(c2nccn3nc(C)cc23)CC1
InChIInChI=1S/C18H21N5O/c1-14-13-16-18(19-7-8-23(16)20-14)22-11-9-21(10-12-22)15-5-3-4-6-17(15)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyWHHVYBPPKHTJMN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 133487895) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID133487895
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCOc1ccccc1N1CCN(c2nccn3nc(C)cc23)CC1
InChIInChI=1S/C18H21N5O/c1-14-13-16-18(19-7-8-23(16)20-14)22-11-9-21(10-12-22)15-5-3-4-6-17(15)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyWHHVYBPPKHTJMN-UHFFFAOYSA-N
XLogP2.37
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (CID 133487895) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is COc1ccccc1N1CCN(c2nccn3nc(C)cc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is WHHVYBPPKHTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-13-16-18(19-7-8-23(16)20-14)22-11-9-21(10-12-22)15-5-3-4-6-17(15)24-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 323.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).