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

C10H14N4O3 — CID 134788380

IUPACmethyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)c1cnn2c1CN(C(=O)OC)CC2
InChIInChI=1S/C10H14N4O3/c1-11-9(15)7-5-12-14-4-3-13(6-8(7)14)10(16)17-2/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyHKZMQUSPCRKUNR-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.18
Rot. Bonds1

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

methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134788380) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134788380
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)c1cnn2c1CN(C(=O)OC)CC2
InChIInChI=1S/C10H14N4O3/c1-11-9(15)7-5-12-14-4-3-13(6-8(7)14)10(16)17-2/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyHKZMQUSPCRKUNR-UHFFFAOYSA-N
XLogP-0.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134788380) is methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CNC(=O)c1cnn2c1CN(C(=O)OC)CC2.
What is the InChIKey of methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is HKZMQUSPCRKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-9(15)7-5-12-14-4-3-13(6-8(7)14)10(16)17-2/h5H,3-4,6H2,1-2H3,(H,11,15).
What are the key properties of methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).