6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H23N5O2 — CID 91891174

IUPAC6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)N1CCN(C(=O)c2cc3c(=O)[nH]c(-c4ccccc4)cn3n2)CC1
InChIInChI=1S/C20H23N5O2/c1-14(2)23-8-10-24(11-9-23)20(27)16-12-18-19(26)21-17(13-25(18)22-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,21,26)
InChIKeyPNKDBPSWTJZOAA-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.86
Rot. Bonds3

About 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91891174) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91891174
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)N1CCN(C(=O)c2cc3c(=O)[nH]c(-c4ccccc4)cn3n2)CC1
InChIInChI=1S/C20H23N5O2/c1-14(2)23-8-10-24(11-9-23)20(27)16-12-18-19(26)21-17(13-25(18)22-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,21,26)
InChIKeyPNKDBPSWTJZOAA-UHFFFAOYSA-N
XLogP1.86
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91891174) is 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)N1CCN(C(=O)c2cc3c(=O)[nH]c(-c4ccccc4)cn3n2)CC1.
What is the InChIKey of 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PNKDBPSWTJZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)23-8-10-24(11-9-23)20(27)16-12-18-19(26)21-17(13-25(18)22-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,21,26).
What are the key properties of 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(4-propan-2-ylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).