2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol

C21H17N3O2 — CID 135760433

IUPAC2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol
SMILESOc1ccccc1C1=NN2C(C1)c1ccccc1OC2c1cccnc1
InChIInChI=1S/C21H17N3O2/c25-19-9-3-1-7-15(19)17-12-18-16-8-2-4-10-20(16)26-21(24(18)23-17)14-6-5-11-22-13-14/h1-11,13,18,21,25H,12H2
InChIKeyDHHNXUPNZRIEQV-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.03
Rot. Bonds2

About 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol

2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol (PubChem CID 135760433) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol.

Molecular Properties

Compound Name2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol
PubChem CID135760433
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol
SMILESOc1ccccc1C1=NN2C(C1)c1ccccc1OC2c1cccnc1
InChIInChI=1S/C21H17N3O2/c25-19-9-3-1-7-15(19)17-12-18-16-8-2-4-10-20(16)26-21(24(18)23-17)14-6-5-11-22-13-14/h1-11,13,18,21,25H,12H2
InChIKeyDHHNXUPNZRIEQV-UHFFFAOYSA-N
XLogP4.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Analyze 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?
The IUPAC name of 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol (CID 135760433) is 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol.
What is the SMILES notation for 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?
The canonical SMILES for 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol is Oc1ccccc1C1=NN2C(C1)c1ccccc1OC2c1cccnc1.
What is the InChIKey of 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?
The InChIKey is DHHNXUPNZRIEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-19-9-3-1-7-15(19)17-12-18-16-8-2-4-10-20(16)26-21(24(18)23-17)14-6-5-11-22-13-14/h1-11,13,18,21,25H,12H2.
What are the key properties of 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol?
2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol has a molecular weight of 343.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenol is sourced from PubChem (CID 135760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).