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

C24H25N5 — CID 133487929

IUPAC4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nccn2n1
InChIInChI=1S/C24H25N5/c1-19-18-22-24(25-12-13-29(22)26-19)28-16-14-27(15-17-28)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3
InChIKeyLITAJXPXRNIHKK-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.95
Rot. Bonds4

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

4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 133487929) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID133487929
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nccn2n1
InChIInChI=1S/C24H25N5/c1-19-18-22-24(25-12-13-29(22)26-19)28-16-14-27(15-17-28)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3
InChIKeyLITAJXPXRNIHKK-UHFFFAOYSA-N
XLogP3.95
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine (CID 133487929) is 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nccn2n1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is LITAJXPXRNIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-19-18-22-24(25-12-13-29(22)26-19)28-16-14-27(15-17-28)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 383.50 g/mol, XLogP of 3.95, 4 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-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133487929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).