5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine

C20H19BrN2O — CID 4255682

IUPAC5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC(C)Cc1cc2n(n1)C(c1ccc(Br)cc1)Oc1ccccc1-2
InChIInChI=1S/C20H19BrN2O/c1-13(2)11-16-12-18-17-5-3-4-6-19(17)24-20(23(18)22-16)14-7-9-15(21)10-8-14/h3-10,12-13,20H,11H2,1-2H3
InChIKeyPOXLIZHRLOUXIO-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.45
Rot. Bonds3

About 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine

5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4255682) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4255682
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC(C)Cc1cc2n(n1)C(c1ccc(Br)cc1)Oc1ccccc1-2
InChIInChI=1S/C20H19BrN2O/c1-13(2)11-16-12-18-17-5-3-4-6-19(17)24-20(23(18)22-16)14-7-9-15(21)10-8-14/h3-10,12-13,20H,11H2,1-2H3
InChIKeyPOXLIZHRLOUXIO-UHFFFAOYSA-N
XLogP5.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-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

N-Allyl-6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-1-hexanamine
CID 445989
(2e)-N-Allyl-4-((3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl)Oxy)-N-Methyl-2-Buten-1-Amine
CID 445990
N-(4-bromophenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-methylacetamide
CID 16010690
3-(4-Bromophenyl)-4-(2-methoxyphenyl)-1-phenylpyrazolo[4,5-c]quinoline
CID 145964980
4-[1-Methyl-3-(4-phenylmethoxyphenyl)pyrazol-5-yl]piperidine
CID 11473492
3,5-dimethyl-1-(9H-xanthen-9-yl)pyrazole
CID 44273573
2'-(4-Fluorophenyl)-1-propylspiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 44416291
Allyl-(4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1h-indazol-6-yloxy]-but-2-enyl)-methyl-amine
CID 67596915
2-(4-Methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
CID 12948315
5-(4-bromobenzyl)-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 60143961
3-(4-bromobenzyl)-1-cyclohexyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 60143962
1-[2-(4-Bromo-2-fluorophenoxy)ethyl]-5-ethoxy-3-phenylpyrazole
CID 69834721

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4255682) is 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine is CC(C)Cc1cc2n(n1)C(c1ccc(Br)cc1)Oc1ccccc1-2.
What is the InChIKey of 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is POXLIZHRLOUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-13(2)11-16-12-18-17-5-3-4-6-19(17)24-20(23(18)22-16)14-7-9-15(21)10-8-14/h3-10,12-13,20H,11H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 383.29 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(2-methylpropyl)-5H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).