(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C19H20N2O2 — CID 7722642

IUPAC(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN12
InChIInChI=1S/C19H20N2O2/c1-3-18-21-16(12-15(20-21)13-8-5-4-6-9-13)14-10-7-11-17(22-2)19(14)23-18/h4-11,16,18H,3,12H2,1-2H3/t16-,18+/m0/s1
InChIKeyMIYYOWVPCDXHJW-FUHWJXTLSA-N
MW308.38 g/mol
LogP3.97
Rot. Bonds3

About (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 7722642) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID7722642
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN12
InChIInChI=1S/C19H20N2O2/c1-3-18-21-16(12-15(20-21)13-8-5-4-6-9-13)14-10-7-11-17(22-2)19(14)23-18/h4-11,16,18H,3,12H2,1-2H3/t16-,18+/m0/s1
InChIKeyMIYYOWVPCDXHJW-FUHWJXTLSA-N
XLogP3.97
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,10bS)-7-methoxy-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167345
(5S,10bS)-7-methoxy-2-phenyl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7493635
(5R,10bR)-7-methoxy-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453975
(5S,10bS)-5-cyclohexyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 99946873
(5S,10bS)-5-(2,6-difluorophenyl)-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7459043
(5S,10bR)-7-methoxy-2-phenyl-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51463528
7-methoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3842591
2-(4-chlorophenyl)-7-methoxy-5-(2-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4091201
(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7274223
(5S,10bS)-7-methoxy-5-(4-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 99946872
(5R,10bR)-5-(4-ethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42456450
(5R,10bR)-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42456559

Frequently Asked Questions

What is the IUPAC name of (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 7722642) is (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN12.
What is the InChIKey of (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is MIYYOWVPCDXHJW-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-18-21-16(12-15(20-21)13-8-5-4-6-9-13)14-10-7-11-17(22-2)19(14)23-18/h4-11,16,18H,3,12H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 308.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 7722642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).