benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C16H18N4O3 — CID 134788680

IUPACbenzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H18N4O3/c1-17-15(21)13-9-18-20-8-7-19(10-14(13)20)16(22)23-11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,17,21)
InChIKeyHLGKFDBBUHGLNG-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.40
Rot. Bonds3

About benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134788680) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134788680
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Namebenzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H18N4O3/c1-17-15(21)13-9-18-20-8-7-19(10-14(13)20)16(22)23-11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,17,21)
InChIKeyHLGKFDBBUHGLNG-UHFFFAOYSA-N
XLogP1.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134788680) is benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is HLGKFDBBUHGLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-17-15(21)13-9-18-20-8-7-19(10-14(13)20)16(22)23-11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,17,21).
What are the key properties of benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).