1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

C16H24N4O — CID 124806700

IUPAC1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CN(CC2CCC2)Cc2ccnn21
InChIInChI=1S/C16H24N4O/c21-16-5-2-8-19(16)12-15-11-18(9-13-3-1-4-13)10-14-6-7-17-20(14)15/h6-7,13,15H,1-5,8-12H2/t15-/m0/s1
InChIKeyRUDHVXRLIJAOCH-HNNXBMFYSA-N
MW288.39 g/mol
LogP1.66
Rot. Bonds4

About 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (PubChem CID 124806700) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
PubChem CID124806700
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CN(CC2CCC2)Cc2ccnn21
InChIInChI=1S/C16H24N4O/c21-16-5-2-8-19(16)12-15-11-18(9-13-3-1-4-13)10-14-6-7-17-20(14)15/h6-7,13,15H,1-5,8-12H2/t15-/m0/s1
InChIKeyRUDHVXRLIJAOCH-HNNXBMFYSA-N
XLogP1.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (CID 124806700) is 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H]1CN(CC2CCC2)Cc2ccnn21.
What is the InChIKey of 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is RUDHVXRLIJAOCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16-5-2-8-19(16)12-15-11-18(9-13-3-1-4-13)10-14-6-7-17-20(14)15/h6-7,13,15H,1-5,8-12H2/t15-/m0/s1.
What are the key properties of 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124806700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).