(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C22H24N2O — CID 7387088

IUPAC(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/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/h1,3-4,7-10,13-14,17,20,22H,2,5-6,11-12,15H2/t20-,22-/m0/s1
InChIKeyULKNDEUATRAGMY-UNMCSNQZSA-N
MW332.45 g/mol
LogP5.14
Rot. Bonds2

About (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 7387088) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID7387088
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/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/h1,3-4,7-10,13-14,17,20,22H,2,5-6,11-12,15H2/t20-,22-/m0/s1
InChIKeyULKNDEUATRAGMY-UNMCSNQZSA-N
XLogP5.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

(5S,10bS)-5-cyclohexyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 99946873
(5R,10bS)-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7064190
9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121814
(5S,10bR)-5-tert-butyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92643775
(5S,10bS)-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7108597
5-(3-fluorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5109907
[(5S,10bR)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-phenylmethanone
CID 6550171
5-(4-fluorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5102440
2-phenyl-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121926
(5S,10bS)-5-(2-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7065360
(5S,10bR)-5-(4-chlorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98696044
(5S,10bS)-5-naphthalen-2-yl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7177227

Frequently Asked Questions

What is the IUPAC name of (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 7387088) is (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1.
What is the InChIKey of (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is ULKNDEUATRAGMY-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H24N2O/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/h1,3-4,7-10,13-14,17,20,22H,2,5-6,11-12,15H2/t20-,22-/m0/s1.
What are the key properties of (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 332.45 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bS)-5-cyclohexyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 7387088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).