5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one

C16H15N3O — CID 171146184

IUPAC5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(C3CC3)nn2ccn1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c20-16-15-10-14(13-6-7-13)17-19(15)9-8-18(16)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2
InChIKeyPRQUJDSGQSIMSD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.42
Rot. Bonds3

About 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one

5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 171146184) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID171146184
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(C3CC3)nn2ccn1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c20-16-15-10-14(13-6-7-13)17-19(15)9-8-18(16)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2
InChIKeyPRQUJDSGQSIMSD-UHFFFAOYSA-N
XLogP2.42
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one (CID 171146184) is 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(C3CC3)nn2ccn1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PRQUJDSGQSIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-15-10-14(13-6-7-13)17-19(15)9-8-18(16)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2.
What are the key properties of 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 171146184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).