5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H21ClN4O2 — CID 46077118

IUPAC5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1
InChIInChI=1S/C19H21ClN4O2/c20-15-6-4-14(5-7-15)13-23-10-11-24-17(19(23)26)12-16(21-24)18(25)22-8-2-1-3-9-22/h4-7,12H,1-3,8-11,13H2
InChIKeyRRLSVCBTRTVKMW-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.82
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46077118) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID46077118
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1
InChIInChI=1S/C19H21ClN4O2/c20-15-6-4-14(5-7-15)13-23-10-11-24-17(19(23)26)12-16(21-24)18(25)22-8-2-1-3-9-22/h4-7,12H,1-3,8-11,13H2
InChIKeyRRLSVCBTRTVKMW-UHFFFAOYSA-N
XLogP2.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46077118) is 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RRLSVCBTRTVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-6-4-14(5-7-15)13-23-10-11-24-17(19(23)26)12-16(21-24)18(25)22-8-2-1-3-9-22/h4-7,12H,1-3,8-11,13H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 372.86 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46077118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).