4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

C15H14N4O — CID 121184892

IUPAC4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(c1nccn3nccc13)CCO2
InChIInChI=1S/C15H14N4O/c1-2-4-14-12(3-1)11-18(9-10-20-14)15-13-5-6-17-19(13)8-7-16-15/h1-8H,9-11H2
InChIKeyJSDVUICNFOJLHA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds1

About 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 121184892) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID121184892
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(c1nccn3nccc13)CCO2
InChIInChI=1S/C15H14N4O/c1-2-4-14-12(3-1)11-18(9-10-20-14)15-13-5-6-17-19(13)8-7-16-15/h1-8H,9-11H2
InChIKeyJSDVUICNFOJLHA-UHFFFAOYSA-N
XLogP2.13
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (CID 121184892) is 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is c1ccc2c(c1)CN(c1nccn3nccc13)CCO2.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is JSDVUICNFOJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-4-14-12(3-1)11-18(9-10-20-14)15-13-5-6-17-19(13)8-7-16-15/h1-8H,9-11H2.
What are the key properties of 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 266.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrazin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 121184892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).