2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C22H18N2O — CID 53449506

IUPAC2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESC1=C(c2ccccc2)NN2C1c1ccccc1OC2c1ccccc1
InChIInChI=1S/C22H18N2O/c1-3-9-16(10-4-1)19-15-20-18-13-7-8-14-21(18)25-22(24(20)23-19)17-11-5-2-6-12-17/h1-15,20,22-23H
InChIKeyPYCLTJDIUYSAAR-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.68
Rot. Bonds2

About 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 53449506) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID53449506
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESC1=C(c2ccccc2)NN2C1c1ccccc1OC2c1ccccc1
InChIInChI=1S/C22H18N2O/c1-3-9-16(10-4-1)19-15-20-18-13-7-8-14-21(18)25-22(24(20)23-19)17-11-5-2-6-12-17/h1-15,20,22-23H
InChIKeyPYCLTJDIUYSAAR-UHFFFAOYSA-N
XLogP4.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10bR)-2-(4-chlorophenyl)-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2003965
7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4564985
(5S,10bR)-5-(4-morpholin-4-ylphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2321734
(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2317737
(5S,10bS)-5-(4-bromophenyl)-2-(2-methylpropyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2312867
(5R,10bS)-2-(4-chlorophenyl)-5-(2-methylpropyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2018104
9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4161244
(5S,10bR)-5-quinolin-6-yl-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2313855
(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2147821
(5R,10bS)-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7064190
2-(4-ethoxyphenyl)-7-methoxy-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152409
9-chloro-2-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5101526

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 53449506) is 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is C1=C(c2ccccc2)NN2C1c1ccccc1OC2c1ccccc1.
What is the InChIKey of 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is PYCLTJDIUYSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-3-9-16(10-4-1)19-15-20-18-13-7-8-14-21(18)25-22(24(20)23-19)17-11-5-2-6-12-17/h1-15,20,22-23H.
What are the key properties of 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 326.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 53449506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).