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

C15H18N6O2 — CID 131693985

IUPAC1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)c2ccn[nH]2)Cc2ccnn21
InChIInChI=1S/C15H18N6O2/c22-14-2-1-7-19(14)9-12-10-20(8-11-3-6-17-21(11)12)15(23)13-4-5-16-18-13/h3-6,12H,1-2,7-10H2,(H,16,18)
InChIKeyISDRIZXGUIBHHL-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.43
Rot. Bonds3

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

1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (PubChem CID 131693985) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
PubChem CID131693985
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)c2ccn[nH]2)Cc2ccnn21
InChIInChI=1S/C15H18N6O2/c22-14-2-1-7-19(14)9-12-10-20(8-11-3-6-17-21(11)12)15(23)13-4-5-16-18-13/h3-6,12H,1-2,7-10H2,(H,16,18)
InChIKeyISDRIZXGUIBHHL-UHFFFAOYSA-N
XLogP0.43
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (CID 131693985) is 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(C(=O)c2ccn[nH]2)Cc2ccnn21.
What is the InChIKey of 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is ISDRIZXGUIBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-2-1-7-19(14)9-12-10-20(8-11-3-6-17-21(11)12)15(23)13-4-5-16-18-13/h3-6,12H,1-2,7-10H2,(H,16,18).
What are the key properties of 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 314.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131693985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).