benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C18H20N4O3 — CID 134789971

IUPACbenzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H20N4O3/c1-2-8-19-17(23)15-11-20-22-10-9-21(12-16(15)22)18(24)25-13-14-6-4-3-5-7-14/h2-7,11H,1,8-10,12-13H2,(H,19,23)
InChIKeyPIUUYVGXPWOHPF-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.95
Rot. Bonds5

About benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134789971) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134789971
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namebenzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H20N4O3/c1-2-8-19-17(23)15-11-20-22-10-9-21(12-16(15)22)18(24)25-13-14-6-4-3-5-7-14/h2-7,11H,1,8-10,12-13H2,(H,19,23)
InChIKeyPIUUYVGXPWOHPF-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134789971) is benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C=CCNC(=O)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is PIUUYVGXPWOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-8-19-17(23)15-11-20-22-10-9-21(12-16(15)22)18(24)25-13-14-6-4-3-5-7-14/h2-7,11H,1,8-10,12-13H2,(H,19,23).
What are the key properties of benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).