4H-pyrazolo[5,1-c][1,4]benzoxazine

C10H8N2O — CID 70287326

IUPAC4H-pyrazolo[5,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1ccnn1-2
InChIInChI=1S/C10H8N2O/c1-2-4-10-9(3-1)12-8(7-13-10)5-6-11-12/h1-6H,7H2
InChIKeyFXMPTHONFYUPOU-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.76
Rot. Bonds

About 4H-pyrazolo[5,1-c][1,4]benzoxazine

4H-pyrazolo[5,1-c][1,4]benzoxazine (PubChem CID 70287326) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4H-pyrazolo[5,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name4H-pyrazolo[5,1-c][1,4]benzoxazine
PubChem CID70287326
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4H-pyrazolo[5,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1ccnn1-2
InChIInChI=1S/C10H8N2O/c1-2-4-10-9(3-1)12-8(7-13-10)5-6-11-12/h1-6H,7H2
InChIKeyFXMPTHONFYUPOU-UHFFFAOYSA-N
XLogP1.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrazolo[5,1-c][1,4]benzoxazine?
The IUPAC name of 4H-pyrazolo[5,1-c][1,4]benzoxazine (CID 70287326) is 4H-pyrazolo[5,1-c][1,4]benzoxazine.
What is the SMILES notation for 4H-pyrazolo[5,1-c][1,4]benzoxazine?
The canonical SMILES for 4H-pyrazolo[5,1-c][1,4]benzoxazine is c1ccc2c(c1)OCc1ccnn1-2.
What is the InChIKey of 4H-pyrazolo[5,1-c][1,4]benzoxazine?
The InChIKey is FXMPTHONFYUPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-10-9(3-1)12-8(7-13-10)5-6-11-12/h1-6H,7H2.
What are the key properties of 4H-pyrazolo[5,1-c][1,4]benzoxazine?
4H-pyrazolo[5,1-c][1,4]benzoxazine has a molecular weight of 172.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazolo[5,1-c][1,4]benzoxazine is sourced from PubChem (CID 70287326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).