2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate

C16H14N4O3 — CID 99793891

IUPAC2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESO=C(NCCOC(=O)c1cnn2ccncc12)c1ccccc1
InChIInChI=1S/C16H14N4O3/c21-15(12-4-2-1-3-5-12)18-7-9-23-16(22)13-10-19-20-8-6-17-11-14(13)20/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyJRSYGXVDBNKTDU-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.32
Rot. Bonds5

About 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate

2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 99793891) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Name2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID99793891
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESO=C(NCCOC(=O)c1cnn2ccncc12)c1ccccc1
InChIInChI=1S/C16H14N4O3/c21-15(12-4-2-1-3-5-12)18-7-9-23-16(22)13-10-19-20-8-6-17-11-14(13)20/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyJRSYGXVDBNKTDU-UHFFFAOYSA-N
XLogP1.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125295

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate (CID 99793891) is 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate is O=C(NCCOC(=O)c1cnn2ccncc12)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is JRSYGXVDBNKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(12-4-2-1-3-5-12)18-7-9-23-16(22)13-10-19-20-8-6-17-11-14(13)20/h1-6,8,10-11H,7,9H2,(H,18,21).
What are the key properties of 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate?
2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 99793891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).